methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

C18H18N2O3 — CID 16834631

IUPACmethyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)19-15-9-10-16-14(12-15)8-5-11-20(16)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22)
InChIKeyYDJQWGRWSNCLOY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.46
Rot. Bonds2

About methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate

methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (PubChem CID 16834631) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
PubChem CID16834631
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)19-15-9-10-16-14(12-15)8-5-11-20(16)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22)
InChIKeyYDJQWGRWSNCLOY-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 30374011
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The IUPAC name of methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate (CID 16834631) is methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate.
What is the SMILES notation for methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The canonical SMILES for methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is COC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
The InChIKey is YDJQWGRWSNCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)19-15-9-10-16-14(12-15)8-5-11-20(16)17(21)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,19,22).
What are the key properties of methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate?
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate is sourced from PubChem (CID 16834631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).