4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid

C14H18N2O3 — CID 115219709

IUPAC4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(6-14(18)19)8-16-12-4-3-11(15)7-10(12)2-5-13(16)17/h3-4,7,9H,2,5-6,8,15H2,1H3,(H,18,19)
InChIKeyLTBCQXGVBWJLKY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.66
Rot. Bonds4

About 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid

4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid (PubChem CID 115219709) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
PubChem CID115219709
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)CN1C(=O)CCc2cc(N)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(6-14(18)19)8-16-12-4-3-11(15)7-10(12)2-5-13(16)17/h3-4,7,9H,2,5-6,8,15H2,1H3,(H,18,19)
InChIKeyLTBCQXGVBWJLKY-UHFFFAOYSA-N
XLogP1.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
2-[(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-3-methylbutanenitrile
CID 115254242
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
6-fluoro-1-(2-hydroxy-3-methylbutyl)-3,4-dihydroquinolin-2-one
CID 114249768
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43446555

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid (CID 115219709) is 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid is CC(CC(=O)O)CN1C(=O)CCc2cc(N)ccc21.
What is the InChIKey of 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid?
The InChIKey is LTBCQXGVBWJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(6-14(18)19)8-16-12-4-3-11(15)7-10(12)2-5-13(16)17/h3-4,7,9H,2,5-6,8,15H2,1H3,(H,18,19).
What are the key properties of 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid?
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 115219709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).