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

C124H217N12O+ — CID 158204838

IUPAC3,4-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1c2ccccc2N=[N+]1C.CN1CCCc2ccccc21.CN1CCc2ccccc2C1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.c1ccc2c(c1)CCCO2.c1ccc2nccnc2c1.c1ccncc1.c1cncnc1
InChIInChI=1S/2C10H13N.C9H11N2.C9H9N.C9H10O.C8H8N2.C8H6N2.C5H5N.C4H4N2.9C4H10.8C2H6/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-7-8-5-3-4-6-9(8)10-11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-4-7-3-2-5-9-8(7)10;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;9*1-4(2)3;8*1-2/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;3-7H,1-2H3;2-7H,1H3;1-2,4,6H,3,5,7H2;2-6H,1H3;1-6H;1-5H;1-4H;9*4H,1-3H3;8*1-2H3/q;;+1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVSGUXHLXJRCNIA-UHFFFAOYSA-N
MW1892.18 g/mol
LogP38.35
Rot. Bonds

About 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

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 (PubChem CID 158204838) has the molecular formula C124H217N12O+ and a molecular weight of 1892.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID158204838
Molecular FormulaC124H217N12O+
Molecular Weight1892.18 g/mol
Exact Mass1890.73
IUPAC Name3,4-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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1c2ccccc2N=[N+]1C.CN1CCCc2ccccc21.CN1CCc2ccccc2C1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.c1ccc2c(c1)CCCO2.c1ccc2nccnc2c1.c1ccncc1.c1cncnc1
InChIInChI=1S/2C10H13N.C9H11N2.C9H9N.C9H10O.C8H8N2.C8H6N2.C5H5N.C4H4N2.9C4H10.8C2H6/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-7-8-5-3-4-6-9(8)10-11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-4-7-3-2-5-9-8(7)10;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;9*1-4(2)3;8*1-2/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;3-7H,1-2H3;2-7H,1H3;1-2,4,6H,3,5,7H2;2-6H,1H3;1-6H;1-5H;1-4H;9*4H,1-3H3;8*1-2H3/q;;+1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVSGUXHLXJRCNIA-UHFFFAOYSA-N
XLogP38.35
TPSA118.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.18
LogP ≤ 538.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-(4-Ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763375
3-[3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71763376
3-[3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71763377
4-[5-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133254
4-[5-[2-(4-Methylpiperazin-1-yl)pyrimidin-5-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133255
7-[5-[[2-(4-Methylpiperazin-1-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304068
2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-phenoxymethyl]-phenyl}-vinyl)-quinoline
CID 44278454
6-Ethoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464269
6-[[1-[3-[(4-Fluorophenyl)methoxy]phenyl]triazol-4-yl]methyl]indolo[3,2-b]quinoxaline
CID 76320507
9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluorobenzimidazol-1-yl)-8-methylpurine
CID 59704872
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-imidazo[4,5-c]pyridin-3-yl-8-methylpurine
CID 59704876
2-(benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-methylpurine
CID 59704878

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1c2ccccc2N=[N+]1C.CN1CCCc2ccccc21.CN1CCc2ccccc2C1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.c1ccc2c(c1)CCCO2.c1ccc2nccnc2c1.c1ccncc1.c1cncnc1.
What is the InChIKey of 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?
The InChIKey is VSGUXHLXJRCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N.C9H11N2.C9H9N.C9H10O.C8H8N2.C8H6N2.C5H5N.C4H4N2.9C4H10.8C2H6/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-7-8-5-3-4-6-9(8)10-11(7)2;1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-4-7-3-2-5-9-8(7)10;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-5-4-6-3-1;9*1-4(2)3;8*1-2/h2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3;3-7H,1-2H3;2-7H,1H3;1-2,4,6H,3,5,7H2;2-6H,1H3;1-6H;1-5H;1-4H;9*4H,1-3H3;8*1-2H3/q;;+1;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1892.18 g/mol, XLogP of 38.35, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158204838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).