(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid

C17H13ClN2O3 — CID 71208302

IUPAC(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H13ClN2O3/c1-19(17(22)23)15-10-20(12-5-3-2-4-6-12)14-9-11(18)7-8-13(14)16(15)21/h2-10H,1H3,(H,22,23)
InChIKeyKKTOYPMGJACTTA-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.76
Rot. Bonds2

About (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid

(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid (PubChem CID 71208302) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid
PubChem CID71208302
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H13ClN2O3/c1-19(17(22)23)15-10-20(12-5-3-2-4-6-12)14-9-11(18)7-8-13(14)16(15)21/h2-10H,1H3,(H,22,23)
InChIKeyKKTOYPMGJACTTA-UHFFFAOYSA-N
XLogP3.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid?
The IUPAC name of (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid (CID 71208302) is (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid.
What is the SMILES notation for (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid?
The canonical SMILES for (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid is CN(C(=O)O)c1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid?
The InChIKey is KKTOYPMGJACTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-19(17(22)23)15-10-20(12-5-3-2-4-6-12)14-9-11(18)7-8-13(14)16(15)21/h2-10H,1H3,(H,22,23).
What are the key properties of (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid?
(7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid has a molecular weight of 328.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-1-phenylquinolin-3-yl)-methylcarbamic acid is sourced from PubChem (CID 71208302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).