benzyl N-(5-chloroquinolin-8-yl)carbamate

C17H13ClN2O2 — CID 130156860

IUPACbenzyl N-(5-chloroquinolin-8-yl)carbamate
SMILESO=C(Nc1ccc(Cl)c2cccnc12)OCc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-9-15(16-13(14)7-4-10-19-16)20-17(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21)
InChIKeyYQUYMNQFURQYNV-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.64
Rot. Bonds3

About benzyl N-(5-chloroquinolin-8-yl)carbamate

benzyl N-(5-chloroquinolin-8-yl)carbamate (PubChem CID 130156860) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is benzyl N-(5-chloroquinolin-8-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-chloroquinolin-8-yl)carbamate
PubChem CID130156860
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Namebenzyl N-(5-chloroquinolin-8-yl)carbamate
SMILESO=C(Nc1ccc(Cl)c2cccnc12)OCc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-14-8-9-15(16-13(14)7-4-10-19-16)20-17(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21)
InChIKeyYQUYMNQFURQYNV-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-chloroquinolin-8-yl)carbamate?
The IUPAC name of benzyl N-(5-chloroquinolin-8-yl)carbamate (CID 130156860) is benzyl N-(5-chloroquinolin-8-yl)carbamate.
What is the SMILES notation for benzyl N-(5-chloroquinolin-8-yl)carbamate?
The canonical SMILES for benzyl N-(5-chloroquinolin-8-yl)carbamate is O=C(Nc1ccc(Cl)c2cccnc12)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-chloroquinolin-8-yl)carbamate?
The InChIKey is YQUYMNQFURQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-8-9-15(16-13(14)7-4-10-19-16)20-17(21)22-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21).
What are the key properties of benzyl N-(5-chloroquinolin-8-yl)carbamate?
benzyl N-(5-chloroquinolin-8-yl)carbamate has a molecular weight of 312.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-chloroquinolin-8-yl)carbamate is sourced from PubChem (CID 130156860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).