(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid

C17H17ClN2O2 — CID 66757512

IUPAC(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
SMILESO=C(O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-6-7-16-13(8-14)9-15(19-17(21)22)11-20(16)10-12-4-2-1-3-5-12/h1-8,15,19H,9-11H2,(H,21,22)
InChIKeyYYUUUGMJAZADST-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.54
Rot. Bonds3

About (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid

(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid (PubChem CID 66757512) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
PubChem CID66757512
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
SMILESO=C(O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-6-7-16-13(8-14)9-15(19-17(21)22)11-20(16)10-12-4-2-1-3-5-12/h1-8,15,19H,9-11H2,(H,21,22)
InChIKeyYYUUUGMJAZADST-UHFFFAOYSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid 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

N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
CID 68582624
3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 59297033
N-[1-[(3-chlorophenyl)methyl]-6-isocyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 58674919
N-[(3S)-1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68581032
[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 66684624
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
(2R)-N-[(3R)-1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-2-hydroxy-3-phenylpropanamide
CID 140527214
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918
cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 11604237

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid?
The IUPAC name of (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid (CID 66757512) is (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid.
What is the SMILES notation for (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid?
The canonical SMILES for (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid is O=C(O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid?
The InChIKey is YYUUUGMJAZADST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-6-7-16-13(8-14)9-15(19-17(21)22)11-20(16)10-12-4-2-1-3-5-12/h1-8,15,19H,9-11H2,(H,21,22).
What are the key properties of (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid?
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid has a molecular weight of 316.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid is sourced from PubChem (CID 66757512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).