2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid

C20H14BrN3O4 — CID 155235413

IUPAC2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(-c3ncco3)cnc3ccc(Br)cc23)c1C(=O)O
InChIInChI=1S/C20H14BrN3O4/c1-27-16-4-2-3-15(17(16)20(25)26)24-18-12-9-11(21)5-6-14(12)23-10-13(18)19-22-7-8-28-19/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyOFQIHWWRDIGNAA-UHFFFAOYSA-N
MW440.25 g/mol
LogP5.10
Rot. Bonds5

About 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid

2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid (PubChem CID 155235413) has the molecular formula C20H14BrN3O4 and a molecular weight of 440.25 g/mol. Its IUPAC name is 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid
PubChem CID155235413
Molecular FormulaC20H14BrN3O4
Molecular Weight440.25 g/mol
Exact Mass439.02
IUPAC Name2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid
SMILESCOc1cccc(Nc2c(-c3ncco3)cnc3ccc(Br)cc23)c1C(=O)O
InChIInChI=1S/C20H14BrN3O4/c1-27-16-4-2-3-15(17(16)20(25)26)24-18-12-9-11(21)5-6-14(12)23-10-13(18)19-22-7-8-28-19/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyOFQIHWWRDIGNAA-UHFFFAOYSA-N
XLogP5.10
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.25
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-acetamido-6-[(6-bromo-3-morpholin-4-ylsulfanylquinolin-4-yl)amino]benzoic acid
CID 155245532
2-[(6-chloro-3-morpholin-4-ylsulfonylquinolin-4-yl)amino]-6-methoxybenzoic acid
CID 155235436
2-[(6-bromo-3-cyanoquinolin-4-yl)amino]benzoic acid
CID 155235404
2-[[3-(aminomethyl)-6-(1,3-benzoxazol-7-yl)quinolin-4-yl]amino]benzoic acid;3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]benzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-hydroxybenzoic acid;2-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-6-methoxybenzoic acid
CID 167586801
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
3-bromo-6-[[6-bromo-3-(morpholin-4-ylmethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid
CID 167586805
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
6-bromo-4-(morpholin-4-ylamino)quinoline-3-carboxylic acid
CID 166645341
2-[(6-bromo-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid;2-[[3-ethoxycarbonyl-6-(1H-indol-4-yl)quinolin-4-yl]amino]benzoic acid;methane
CID 167565447

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The IUPAC name of 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid (CID 155235413) is 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid.
What is the SMILES notation for 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The canonical SMILES for 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid is COc1cccc(Nc2c(-c3ncco3)cnc3ccc(Br)cc23)c1C(=O)O.
What is the InChIKey of 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
The InChIKey is OFQIHWWRDIGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O4/c1-27-16-4-2-3-15(17(16)20(25)26)24-18-12-9-11(21)5-6-14(12)23-10-13(18)19-22-7-8-28-19/h2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid?
2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid has a molecular weight of 440.25 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-3-(1,3-oxazol-2-yl)quinolin-4-yl]amino]-6-methoxybenzoic acid is sourced from PubChem (CID 155235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).