1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid

C19H25N3O2 — CID 139014163

IUPAC1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid
SMILESCc1cc(NCCCN2CCC(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c1-14-13-18(21-17-6-3-2-5-16(14)17)20-9-4-10-22-11-7-15(8-12-22)19(23)24/h2-3,5-6,13,15H,4,7-12H2,1H3,(H,20,21)(H,23,24)
InChIKeyZCKQZKCQLDORQF-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.14
Rot. Bonds6

About 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid

1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid (PubChem CID 139014163) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid
PubChem CID139014163
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid
SMILESCc1cc(NCCCN2CCC(C(=O)O)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c1-14-13-18(21-17-6-3-2-5-16(14)17)20-9-4-10-22-11-7-15(8-12-22)19(23)24/h2-3,5-6,13,15H,4,7-12H2,1H3,(H,20,21)(H,23,24)
InChIKeyZCKQZKCQLDORQF-UHFFFAOYSA-N
XLogP3.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Quipazine Maleate
CID 5702242
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Bexotegras
CID 135390719
(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
(S)-3-Quinolin-3-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10112695
3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10200045
(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313880
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
3-[(6-Methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid
CID 739852
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid (CID 139014163) is 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid is Cc1cc(NCCCN2CCC(C(=O)O)CC2)nc2ccccc12.
What is the InChIKey of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid?
The InChIKey is ZCKQZKCQLDORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-13-18(21-17-6-3-2-5-16(14)17)20-9-4-10-22-11-7-15(8-12-22)19(23)24/h2-3,5-6,13,15H,4,7-12H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid?
1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid has a molecular weight of 327.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 139014163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).