(4-chloro-7-methoxyquinolin-6-yl)carbamic acid

C11H9ClN2O3 — CID 22936428

IUPAC(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
SMILESCOc1cc2nccc(Cl)c2cc1NC(=O)O
InChIInChI=1S/C11H9ClN2O3/c1-17-10-5-8-6(7(12)2-3-13-8)4-9(10)14-11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeySUYIHFFAWLKHCO-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.99
Rot. Bonds2

About (4-chloro-7-methoxyquinolin-6-yl)carbamic acid

(4-chloro-7-methoxyquinolin-6-yl)carbamic acid (PubChem CID 22936428) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is (4-chloro-7-methoxyquinolin-6-yl)carbamic acid.

Molecular Properties

Compound Name(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
PubChem CID22936428
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
SMILESCOc1cc2nccc(Cl)c2cc1NC(=O)O
InChIInChI=1S/C11H9ClN2O3/c1-17-10-5-8-6(7(12)2-3-13-8)4-9(10)14-11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeySUYIHFFAWLKHCO-UHFFFAOYSA-N
XLogP2.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-7-methoxyquinolin-6-yl)-2-morpholin-2-ylacetamide
CID 163212668
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
4-chloro-6-isocyano-7-methoxyquinoline
CID 59712237
4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
CID 155125376
N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
CID 134334020
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
[4-(6-acetamido-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl] thiocyanate
CID 134334016
7-[bromo(difluoro)methoxy]-4-chloro-6-methoxyquinoline
CID 168842805
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methoxyquinolin-6-yl)carbamic acid?
The IUPAC name of (4-chloro-7-methoxyquinolin-6-yl)carbamic acid (CID 22936428) is (4-chloro-7-methoxyquinolin-6-yl)carbamic acid.
What is the SMILES notation for (4-chloro-7-methoxyquinolin-6-yl)carbamic acid?
The canonical SMILES for (4-chloro-7-methoxyquinolin-6-yl)carbamic acid is COc1cc2nccc(Cl)c2cc1NC(=O)O.
What is the InChIKey of (4-chloro-7-methoxyquinolin-6-yl)carbamic acid?
The InChIKey is SUYIHFFAWLKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-17-10-5-8-6(7(12)2-3-13-8)4-9(10)14-11(15)16/h2-5,14H,1H3,(H,15,16).
What are the key properties of (4-chloro-7-methoxyquinolin-6-yl)carbamic acid?
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid has a molecular weight of 252.66 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-methoxyquinolin-6-yl)carbamic acid is sourced from PubChem (CID 22936428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).