3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid

C24H19N3O4 — CID 57334340

IUPAC3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
SMILESCOc1ccccc1-c1ccc2c(Nc3cccc(C(=O)O)c3)c(C(N)=O)cnc2c1
InChIInChI=1S/C24H19N3O4/c1-31-21-8-3-2-7-17(21)14-9-10-18-20(12-14)26-13-19(23(25)28)22(18)27-16-6-4-5-15(11-16)24(29)30/h2-13H,1H3,(H2,25,28)(H,26,27)(H,29,30)
InChIKeyQOYILQSUZLNOPT-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.45
Rot. Bonds6

About 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid

3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid (PubChem CID 57334340) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
PubChem CID57334340
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid
SMILESCOc1ccccc1-c1ccc2c(Nc3cccc(C(=O)O)c3)c(C(N)=O)cnc2c1
InChIInChI=1S/C24H19N3O4/c1-31-21-8-3-2-7-17(21)14-9-10-18-20(12-14)26-13-19(23(25)28)22(18)27-16-6-4-5-15(11-16)24(29)30/h2-13H,1H3,(H2,25,28)(H,26,27)(H,29,30)
InChIKeyQOYILQSUZLNOPT-UHFFFAOYSA-N
XLogP4.45
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-carbamoyl-7-pyrimidin-5-ylquinolin-4-yl)amino]benzoic acid
CID 57334789
methyl 3-[(3-carbamoyl-6-methoxy-7-pyridin-4-ylquinolin-4-yl)amino]benzoate
CID 67513533
ethyl 3-[[3-carbamoyl-7-(4-methyl-3-pyridinyl)quinolin-4-yl]amino]benzoate
CID 67514120
2-[3-[[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]phenyl]-2-methylpropanoic acid
CID 71611640
3-[(7-bromo-3-carbamoylquinolin-4-yl)amino]-5-methoxybenzoic acid
CID 67513645
2-[3-[[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]phenyl]-2,2-difluoroacetic acid
CID 71611641
3-[[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-(propylamino)benzoic acid
CID 71610563
3-[[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-cyclohexylsulfanylbenzoic acid
CID 71612431
tert-butyl N-[2-[[4-(4-anilino-3-carbamoylquinolin-7-yl)benzoyl]amino]ethyl]carbamate
CID 149309124
4-(3-ethylanilino)-7-methoxyquinoline-3-carboxamide
CID 174510815
5-[[3-carbamoyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)quinolin-4-yl]amino]benzene-1,3-dicarboxylic acid
CID 57336252
3-(2-methoxyphenyl)benzoic acid
CID 2759547

Frequently Asked Questions

What is the IUPAC name of 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid?
The IUPAC name of 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid (CID 57334340) is 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid?
The canonical SMILES for 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid is COc1ccccc1-c1ccc2c(Nc3cccc(C(=O)O)c3)c(C(N)=O)cnc2c1.
What is the InChIKey of 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid?
The InChIKey is QOYILQSUZLNOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-21-8-3-2-7-17(21)14-9-10-18-20(12-14)26-13-19(23(25)28)22(18)27-16-6-4-5-15(11-16)24(29)30/h2-13H,1H3,(H2,25,28)(H,26,27)(H,29,30).
What are the key properties of 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid?
3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-carbamoyl-7-(2-methoxyphenyl)quinolin-4-yl]amino]benzoic acid is sourced from PubChem (CID 57334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).