7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid

C20H23FN2O3 — CID 119350783

IUPAC7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H23FN2O3/c21-14-8-9-17-15(11-14)16(12-18(23-17)13-6-7-13)20(26)22-10-4-2-1-3-5-19(24)25/h8-9,11-13H,1-7,10H2,(H,22,26)(H,24,25)
InChIKeyQNXITDFLDZGSSB-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.02
Rot. Bonds9

About 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid

7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid (PubChem CID 119350783) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
PubChem CID119350783
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C20H23FN2O3/c21-14-8-9-17-15(11-14)16(12-18(23-17)13-6-7-13)20(26)22-10-4-2-1-3-5-19(24)25/h8-9,11-13H,1-7,10H2,(H,22,26)(H,24,25)
InChIKeyQNXITDFLDZGSSB-UHFFFAOYSA-N
XLogP4.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid (CID 119350783) is 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid?
The InChIKey is QNXITDFLDZGSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-14-8-9-17-15(11-14)16(12-18(23-17)13-6-7-13)20(26)22-10-4-2-1-3-5-19(24)25/h8-9,11-13H,1-7,10H2,(H,22,26)(H,24,25).
What are the key properties of 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid?
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid has a molecular weight of 358.41 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119350783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).