(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate

C17H13ClN2O2 — CID 749790

IUPAC(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)17(21)22-16-9-10-19-15-11-12(18)7-8-14(15)16/h2-11H,1H3
InChIKeyMCPSAWKMMXHAAK-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.52
Rot. Bonds2

About (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate

(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate (PubChem CID 749790) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate
PubChem CID749790
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)17(21)22-16-9-10-19-15-11-12(18)7-8-14(15)16/h2-11H,1H3
InChIKeyMCPSAWKMMXHAAK-UHFFFAOYSA-N
XLogP4.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate?
The IUPAC name of (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate (CID 749790) is (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccnc2cc(Cl)ccc12)c1ccccc1.
What is the InChIKey of (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate?
The InChIKey is MCPSAWKMMXHAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)17(21)22-16-9-10-19-15-11-12(18)7-8-14(15)16/h2-11H,1H3.
What are the key properties of (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate?
(7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate has a molecular weight of 312.76 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroquinolin-4-yl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 749790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).