4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid

C19H23N3O3 — CID 4179802

IUPAC4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)O)cc12
InChIInChI=1S/C19H23N3O3/c1-13-11-17(22-9-3-2-4-10-22)21-16-6-5-14(12-15(13)16)20-18(23)7-8-19(24)25/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)(H,24,25)
InChIKeyNMVIGYPBNGYGGC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.34
Rot. Bonds5

About 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid

4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid (PubChem CID 4179802) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid
PubChem CID4179802
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)O)cc12
InChIInChI=1S/C19H23N3O3/c1-13-11-17(22-9-3-2-4-10-22)21-16-6-5-14(12-15(13)16)20-18(23)7-8-19(24)25/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)(H,24,25)
InChIKeyNMVIGYPBNGYGGC-UHFFFAOYSA-N
XLogP3.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexanecarboxamide
CID 15999877
4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
CID 16002169
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclopropanecarboxamide
CID 16003777
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-propylcyclohexane-1-carboxamide
CID 16759188
N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 16759189
N-[4-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-3-p-tolyl-acrylamide
CID 11516903
Methyl 1-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yl)-4-piperidinecarboxylate
CID 13987620
1-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yl)-4-piperidinecarboxylic acid
CID 13987621
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]succinamide
CID 16188839

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid (CID 4179802) is 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)O)cc12.
What is the InChIKey of 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid?
The InChIKey is NMVIGYPBNGYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-11-17(22-9-3-2-4-10-22)21-16-6-5-14(12-15(13)16)20-18(23)7-8-19(24)25/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid?
4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 4179802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).