1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline

C217H363N17O3S — CID 161205079

IUPAC1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline
SMILESC.C.C.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CC(C)Cn1cccn1.CCCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.c1ccc(-c2ccccc2)cc1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C12H17N.C12H10.C11H15N.C10H15N3.2C10H14N2.C10H8.C9H7N.C9H13N.C9H8.C8H11N.C8H8O.C7H12N2.C7H10N2.C7H9NO2S.15C5H12.3CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)7-9-5-3-4-6-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-7(2)6-9-5-3-4-8-9;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;15*1-5(2,3)4;;;/h4-5,8-9,11H,1-3,6-7,10H2;1-10H;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;1-8H;1-7H;3-6,8H,7H2,1-2H3;1-6H,7H2;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-5,7H,6H2,1-2H3;3-6H,1-2H3;2-5H,6H2,1H3;15*1-4H3;3*1H4
InChIKeyUVMKIJCHDOMORH-UHFFFAOYSA-N
MW3290.47 g/mol
LogP63.49
Rot. Bonds16

About 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline

1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline (PubChem CID 161205079) has the molecular formula C217H363N17O3S and a molecular weight of 3290.47 g/mol. Its IUPAC name is 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline.

Molecular Properties

Compound Name1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline
PubChem CID161205079
Molecular FormulaC217H363N17O3S
Molecular Weight3290.47 g/mol
Exact Mass3287.85
IUPAC Name1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline
SMILESC.C.C.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CC(C)Cn1cccn1.CCCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.c1ccc(-c2ccccc2)cc1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C12H17N.C12H10.C11H15N.C10H15N3.2C10H14N2.C10H8.C9H7N.C9H13N.C9H8.C8H11N.C8H8O.C7H12N2.C7H10N2.C7H9NO2S.15C5H12.3CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)7-9-5-3-4-6-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-7(2)6-9-5-3-4-8-9;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;15*1-5(2,3)4;;;/h4-5,8-9,11H,1-3,6-7,10H2;1-10H;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;1-8H;1-7H;3-6,8H,7H2,1-2H3;1-6H,7H2;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-5,7H,6H2,1-2H3;3-6H,1-2H3;2-5H,6H2,1H3;15*1-4H3;3*1H4
InChIKeyUVMKIJCHDOMORH-UHFFFAOYSA-N
XLogP63.49
TPSA196.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003290.47
LogP ≤ 563.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(4-Tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-2,6-naphthyridine;5-[5-[(4-propan-2-yloxyphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;5-[5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinoline
CID 157696343
4-[2-[4-[4-[6-(1-Methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]-1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-pyridin-3-ylindazole
CID 145028161
2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutyl)-2-pyridinyl]-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157057430
2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-methylsulfonylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethyl-4-phenylmethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157112413
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157304572
3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157711996
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;5-methyl-1,2,4-triazine;naphthalene;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157803464
4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline
CID 158085395
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 158098536
3,4-dihydro-2H-chromene;2,3-dimethyl-3H-indazol-2-ium;ethane;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;nonakis(2-methylpropane);1-methylpyrrolo[2,3-b]pyridine;pyridine;pyrimidine;quinoxaline
CID 158204838
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;2-methylpyrazine;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;naphthalene;quinoline
CID 158512458
3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;2-methyl-3,4-dihydro-1H-isoquinoline;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 158555089

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline?
The IUPAC name of 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline (CID 161205079) is 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline.
What is the SMILES notation for 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline?
The canonical SMILES for 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline is C.C.C.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)Cc1ccccn1.CC(C)Cn1cccn1.CCCc1ccccn1.CN(C)c1ccccn1.CN1CCN(c2ccccn2)CC1.CS(=O)(=O)Cc1ccccn1.c1ccc(-c2ccccc2)cc1.c1ccc(CC2CCCCC2)nc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline?
The InChIKey is UVMKIJCHDOMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H10.C11H15N.C10H15N3.2C10H14N2.C10H8.C9H7N.C9H13N.C9H8.C8H11N.C8H8O.C7H12N2.C7H10N2.C7H9NO2S.15C5H12.3CH4/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;2*1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)7-9-5-3-4-6-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-5-8-6-3-4-7-9-8;1-2-4-8-7(3-1)5-6-9-8;1-7(2)6-9-5-3-4-8-9;1-9(2)7-5-3-4-6-8-7;1-11(9,10)6-7-4-2-3-5-8-7;15*1-5(2,3)4;;;/h4-5,8-9,11H,1-3,6-7,10H2;1-10H;1,3-4,7-8H,2,5-6,9-10H2;2-5H,6-9H2,1H3;2*2-3,6-7H,1,4-5,8-9H2;1-8H;1-7H;3-6,8H,7H2,1-2H3;1-6H,7H2;3-4,6-7H,2,5H2,1H3;1-4H,5-6H2;3-5,7H,6H2,1-2H3;3-6H,1-2H3;2-5H,6H2,1H3;15*1-4H3;3*1H4.
What are the key properties of 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline?
1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline has a molecular weight of 3290.47 g/mol, XLogP of 63.49, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-(cyclohexylmethyl)pyridine;2,3-dihydro-1-benzofuran;pentadecakis(2,2-dimethylpropane);N,N-dimethylpyridin-2-amine;1H-indene;methane;1-(2-methylpropyl)pyrazole;2-(2-methylpropyl)pyridine;1-methyl-4-pyridin-2-ylpiperazine;2-(methylsulfonylmethyl)pyridine;naphthalene;1-phenylpiperidine;bis(2-piperidin-1-ylpyridine);2-propylpyridine;quinoline is sourced from PubChem (CID 161205079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).