2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid

C19H17ClN2O4 — CID 162514907

IUPAC2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid
SMILESO=C(O)c1cccc(CC(O)CO)c1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O4/c20-12-4-5-14-16(6-7-21-17(14)9-12)22-18-11(8-13(24)10-23)2-1-3-15(18)19(25)26/h1-7,9,13,23-24H,8,10H2,(H,21,22)(H,25,26)
InChIKeyCQYYHBSPKNQQME-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.23
Rot. Bonds6

About 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid

2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid (PubChem CID 162514907) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid.

Molecular Properties

Compound Name2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid
PubChem CID162514907
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid
SMILESO=C(O)c1cccc(CC(O)CO)c1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O4/c20-12-4-5-14-16(6-7-21-17(14)9-12)22-18-11(8-13(24)10-23)2-1-3-15(18)19(25)26/h1-7,9,13,23-24H,8,10H2,(H,21,22)(H,25,26)
InChIKeyCQYYHBSPKNQQME-UHFFFAOYSA-N
XLogP3.23
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 174805868
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
CID 67359465
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride
CID 3039708
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 64667465
[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
CID 67247174

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid?
The IUPAC name of 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid (CID 162514907) is 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid.
What is the SMILES notation for 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid?
The canonical SMILES for 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid is O=C(O)c1cccc(CC(O)CO)c1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid?
The InChIKey is CQYYHBSPKNQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-12-4-5-14-16(6-7-21-17(14)9-12)22-18-11(8-13(24)10-23)2-1-3-15(18)19(25)26/h1-7,9,13,23-24H,8,10H2,(H,21,22)(H,25,26).
What are the key properties of 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid?
2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid has a molecular weight of 372.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-4-yl)amino]-3-(2,3-dihydroxypropyl)benzoic acid is sourced from PubChem (CID 162514907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).