4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid

C22H15ClN2O2 — CID 24757093

IUPAC4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1
InChIInChI=1S/C22H15ClN2O2/c23-17-7-10-19-20(11-12-24-21(19)13-17)25-18-8-5-15(6-9-18)14-1-3-16(4-2-14)22(26)27/h1-13H,(H,24,25)(H,26,27)
InChIKeyZDZPAQPIEPZGAW-UHFFFAOYSA-N
MW374.83 g/mol
LogP6.00
Rot. Bonds4

About 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid

4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid (PubChem CID 24757093) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
PubChem CID24757093
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1
InChIInChI=1S/C22H15ClN2O2/c23-17-7-10-19-20(11-12-24-21(19)13-17)25-18-8-5-15(6-9-18)14-1-3-16(4-2-14)22(26)27/h1-13H,(H,24,25)(H,26,27)
InChIKeyZDZPAQPIEPZGAW-UHFFFAOYSA-N
XLogP6.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
CID 67359465
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 69174723
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid?
The IUPAC name of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid (CID 24757093) is 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1.
What is the InChIKey of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid?
The InChIKey is ZDZPAQPIEPZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-7-10-19-20(11-12-24-21(19)13-17)25-18-8-5-15(6-9-18)14-1-3-16(4-2-14)22(26)27/h1-13H,(H,24,25)(H,26,27).
What are the key properties of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid?
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid has a molecular weight of 374.83 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid is sourced from PubChem (CID 24757093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).