benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate

C18H16N2O4 — CID 58931364

IUPACbenzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
SMILESCOc1cc2[nH]ccc(=O)c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c1-23-17-10-14-13(16(21)7-8-19-14)9-15(17)20-18(22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFCWQRTPDVJKQFV-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.29
Rot. Bonds4

About benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate

benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate (PubChem CID 58931364) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
PubChem CID58931364
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namebenzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
SMILESCOc1cc2[nH]ccc(=O)c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c1-23-17-10-14-13(16(21)7-8-19-14)9-15(17)20-18(22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFCWQRTPDVJKQFV-UHFFFAOYSA-N
XLogP3.29
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate 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

benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
CID 173319571
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
[6-methoxy-8-methyl-2-oxo-3-(phenylmethoxycarbonylamino)chromen-7-yl] acetate
CID 53261523
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
CID 10044624
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379

Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate?
The IUPAC name of benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate (CID 58931364) is benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate.
What is the SMILES notation for benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate?
The canonical SMILES for benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate is COc1cc2[nH]ccc(=O)c2cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate?
The InChIKey is FCWQRTPDVJKQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-17-10-14-13(16(21)7-8-19-14)9-15(17)20-18(22)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate?
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate has a molecular weight of 324.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate is sourced from PubChem (CID 58931364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).