2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid

C16H15FN2O5 — CID 108789630

IUPAC2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
SMILESCc1cc(C(=O)NC(CCC(=O)O)C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C16H15FN2O5/c1-8-6-11(10-7-9(17)2-3-12(10)18-8)15(22)19-13(16(23)24)4-5-14(20)21/h2-3,6-7,13H,4-5H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyHRZZGSUMHJNNDN-UHFFFAOYSA-N
MW334.30 g/mol
LogP1.73
Rot. Bonds6

About 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid

2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid (PubChem CID 108789630) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
PubChem CID108789630
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
SMILESCc1cc(C(=O)NC(CCC(=O)O)C(=O)O)c2cc(F)ccc2n1
InChIInChI=1S/C16H15FN2O5/c1-8-6-11(10-7-9(17)2-3-12(10)18-8)15(22)19-13(16(23)24)4-5-14(20)21/h2-3,6-7,13H,4-5H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyHRZZGSUMHJNNDN-UHFFFAOYSA-N
XLogP1.73
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-fluoro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 107013468
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoic acid;hydrochloride
CID 56727752
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid (CID 108789630) is 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid is Cc1cc(C(=O)NC(CCC(=O)O)C(=O)O)c2cc(F)ccc2n1.
What is the InChIKey of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid?
The InChIKey is HRZZGSUMHJNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-8-6-11(10-7-9(17)2-3-12(10)18-8)15(22)19-13(16(23)24)4-5-14(20)21/h2-3,6-7,13H,4-5H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid?
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid has a molecular weight of 334.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 108789630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).