2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid

C19H22N2O4 — CID 120534676

IUPAC2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-3-4-16(19(23)24)21-18(22)14-10-17(11-5-6-11)20-15-8-7-12(25-2)9-13(14)15/h7-11,16H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRYTMYGJEBRPARN-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.10
Rot. Bonds7

About 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid

2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 120534676) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
PubChem CID120534676
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-3-4-16(19(23)24)21-18(22)14-10-17(11-5-6-11)20-15-8-7-12(25-2)9-13(14)15/h7-11,16H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRYTMYGJEBRPARN-UHFFFAOYSA-N
XLogP3.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
CID 71844776
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
CID 120689881
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid (CID 120534676) is 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is RYTMYGJEBRPARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-4-16(19(23)24)21-18(22)14-10-17(11-5-6-11)20-15-8-7-12(25-2)9-13(14)15/h7-11,16H,3-6H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).