4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C112H170N10O4 — CID 158126157

IUPAC4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C15H23N.C14H21N.C13H19N.C12H17NO/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-9H2,1-3H3
InChIKeyFSEVRHWYZHIDOZ-UHFFFAOYSA-N
MW1720.66 g/mol
LogP24.67
Rot. Bonds5

About 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 158126157) has the molecular formula C112H170N10O4 and a molecular weight of 1720.66 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID158126157
Molecular FormulaC112H170N10O4
Molecular Weight1720.66 g/mol
Exact Mass1719.34
IUPAC Name4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
InChIInChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C15H23N.C14H21N.C13H19N.C12H17NO/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-9H2,1-3H3
InChIKeyFSEVRHWYZHIDOZ-UHFFFAOYSA-N
XLogP24.67
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.66
LogP ≤ 524.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;2-propan-2-yl-1-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 157595370
propane;4-propan-2-yl-2,3,4a,5,8,8a-hexahydro-1,4-benzoxazine;2-propan-2-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline;3-propan-2-yl-2,4,4a,8a-tetrahydro-1,3-benzoxazine;4-propan-2-yl-2,3,4a,8a-tetrahydro-1,4-benzoxazine;3-propan-2-yl-1-azabicyclo[2.2.2]octane;6-propan-2-yl-2-azaspiro[3.3]heptane;2-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;3-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 159578578
4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline
CID 160281722
1-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone;1-tert-butyl-2,3,4,5-tetrahydro-1-benzazepine
CID 160469825
4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 160890623
1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 161131794
4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
CID 165041810

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 158126157) is 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CC(C)(C)N1CCC(O)(c2ccccc2)C2CCCCC21.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)NC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CCN(C(C)(C)C)c2ccccc21.CC1CCN(C(C)(C)C)c2ccccc21.COCCN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is FSEVRHWYZHIDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.C19H30N2O.C19H29NO.C15H23N.C14H21N.C13H19N.C12H17NO/c1-15(2)21-18(24)22-12-10-20(11-13-22)14-23(19(3,4)5)17-9-7-6-8-16(17)20;1-18(2,3)21-15-19(16-7-5-6-8-17(16)21)9-11-20(12-10-19)13-14-22-4;1-18(2,3)20-14-13-19(21,15-9-5-4-6-10-15)16-11-7-8-12-17(16)20;1-14(2,3)16-11-10-15(4,5)12-8-6-7-9-13(12)16;1-11-9-10-15(14(2,3)4)13-8-6-5-7-12(11)13;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h6-9,15H,10-14H2,1-5H3,(H,21,24);5-8H,9-15H2,1-4H3;4-6,9-10,16-17,21H,7-8,11-14H2,1-3H3;6-9H,10-11H2,1-5H3;5-8,11H,9-10H2,1-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-7H,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 1720.66 g/mol, XLogP of 24.67, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 158126157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).