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

C15H13FN2O3 — CID 119350246

IUPAC2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C15H13FN2O3/c16-9-3-4-12-10(5-9)11(15(21)17-7-14(19)20)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,21)(H,19,20)
InChIKeyIBQLPQHPKQIOSM-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.07
Rot. Bonds4

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

2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid (PubChem CID 119350246) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
PubChem CID119350246
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C15H13FN2O3/c16-9-3-4-12-10(5-9)11(15(21)17-7-14(19)20)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,21)(H,19,20)
InChIKeyIBQLPQHPKQIOSM-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
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
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
CID 127367740
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119582736

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid (CID 119350246) is 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid?
The InChIKey is IBQLPQHPKQIOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-9-3-4-12-10(5-9)11(15(21)17-7-14(19)20)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid?
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid has a molecular weight of 288.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119350246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).