5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid

C19H22N2O4 — CID 120525344

IUPAC5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)NCCCCC(=O)O)c2c1
InChIInChI=1S/C19H22N2O4/c1-25-13-7-8-16-14(10-13)15(11-17(21-16)12-5-6-12)19(24)20-9-3-2-4-18(22)23/h7-8,10-12H,2-6,9H2,1H3,(H,20,24)(H,22,23)
InChIKeyWVUOLIDDOFRRFI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.11
Rot. Bonds8

About 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid

5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 120525344) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
PubChem CID120525344
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
SMILESCOc1ccc2nc(C3CC3)cc(C(=O)NCCCCC(=O)O)c2c1
InChIInChI=1S/C19H22N2O4/c1-25-13-7-8-16-14(10-13)15(11-17(21-16)12-5-6-12)19(24)20-9-3-2-4-18(22)23/h7-8,10-12H,2-6,9H2,1H3,(H,20,24)(H,22,23)
InChIKeyWVUOLIDDOFRRFI-UHFFFAOYSA-N
XLogP3.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811
2-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120534676
N-(3-acetamidophenyl)-2-cyclopropyl-6-methoxyquinoline-4-carboxamide
CID 71844776
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid (CID 120525344) is 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid is COc1ccc2nc(C3CC3)cc(C(=O)NCCCCC(=O)O)c2c1.
What is the InChIKey of 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is WVUOLIDDOFRRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-13-7-8-16-14(10-13)15(11-17(21-16)12-5-6-12)19(24)20-9-3-2-4-18(22)23/h7-8,10-12H,2-6,9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid?
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120525344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).