3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid

C18H20N2O3 — CID 119347942

IUPAC3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(C)CC(=O)O)c2c1
InChIInChI=1S/C18H20N2O3/c1-10-3-6-15-13(7-10)14(9-16(20-15)12-4-5-12)18(23)19-11(2)8-17(21)22/h3,6-7,9,11-12H,4-5,8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyKIYZFJIRRJUEFN-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.01
Rot. Bonds5

About 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid

3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid (PubChem CID 119347942) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
PubChem CID119347942
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(C)CC(=O)O)c2c1
InChIInChI=1S/C18H20N2O3/c1-10-3-6-15-13(7-10)14(9-16(20-15)12-4-5-12)18(23)19-11(2)8-17(21)22/h3,6-7,9,11-12H,4-5,8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyKIYZFJIRRJUEFN-UHFFFAOYSA-N
XLogP3.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid (CID 119347942) is 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid is Cc1ccc2nc(C3CC3)cc(C(=O)NC(C)CC(=O)O)c2c1.
What is the InChIKey of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid?
The InChIKey is KIYZFJIRRJUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10-3-6-15-13(7-10)14(9-16(20-15)12-4-5-12)18(23)19-11(2)8-17(21)22/h3,6-7,9,11-12H,4-5,8H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid?
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).