6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid

C20H12ClNO3 — CID 59590548

IUPAC6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Oc3ccnc4cc(Cl)ccc34)ccc12
InChIInChI=1S/C20H12ClNO3/c21-13-4-6-17-18(11-13)22-9-8-19(17)25-14-5-7-15-12(10-14)2-1-3-16(15)20(23)24/h1-11H,(H,23,24)
InChIKeyQSCKPKYAGQLLNG-UHFFFAOYSA-N
MW349.77 g/mol
LogP5.53
Rot. Bonds3

About 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid

6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid (PubChem CID 59590548) has the molecular formula C20H12ClNO3 and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
PubChem CID59590548
Molecular FormulaC20H12ClNO3
Molecular Weight349.77 g/mol
Exact Mass349.05
IUPAC Name6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Oc3ccnc4cc(Cl)ccc34)ccc12
InChIInChI=1S/C20H12ClNO3/c21-13-4-6-17-18(11-13)22-9-8-19(17)25-14-5-7-15-12(10-14)2-1-3-16(15)20(23)24/h1-11H,(H,23,24)
InChIKeyQSCKPKYAGQLLNG-UHFFFAOYSA-N
XLogP5.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.77
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
6-chloronaphthalene-1-carboxylic acid
CID 13288328
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
5-(7-chloroquinolin-4-yl)oxypyridine-3-carboxylic acid
CID 63852058
7-chloro-4-(3-fluorophenoxy)quinoline
CID 19879037
N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
4-chloro-2-quinolin-4-yloxybenzoic acid
CID 61395926
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid?
The IUPAC name of 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid (CID 59590548) is 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid?
The canonical SMILES for 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2cc(Oc3ccnc4cc(Cl)ccc34)ccc12.
What is the InChIKey of 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid?
The InChIKey is QSCKPKYAGQLLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO3/c21-13-4-6-17-18(11-13)22-9-8-19(17)25-14-5-7-15-12(10-14)2-1-3-16(15)20(23)24/h1-11H,(H,23,24).
What are the key properties of 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid?
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid has a molecular weight of 349.77 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 59590548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).