4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid

C14H18N2O3 — CID 115218529

IUPAC4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-16(8-2-3-14(18)19)11-5-6-12-10(9-11)4-7-13(17)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeySRDTZVCLJDONQF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds5

About 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid

4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid (PubChem CID 115218529) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
PubChem CID115218529
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-16(8-2-3-14(18)19)11-5-6-12-10(9-11)4-7-13(17)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeySRDTZVCLJDONQF-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid (CID 115218529) is 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid is CN(CCCC(=O)O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
The InChIKey is SRDTZVCLJDONQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(8-2-3-14(18)19)11-5-6-12-10(9-11)4-7-13(17)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid?
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid is sourced from PubChem (CID 115218529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).