1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C22H30N4O3 — CID 50825595

IUPAC1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1
InChIInChI=1S/C22H30N4O3/c1-15-13-21(25-20-6-5-18(14-19(15)20)24-16(2)27)26-10-7-17(8-11-26)22(28)23-9-4-12-29-3/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyHZXCDKZPDNAXGX-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.87
Rot. Bonds7

About 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 50825595) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID50825595
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1
InChIInChI=1S/C22H30N4O3/c1-15-13-21(25-20-6-5-18(14-19(15)20)24-16(2)27)26-10-7-17(8-11-26)22(28)23-9-4-12-29-3/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyHZXCDKZPDNAXGX-UHFFFAOYSA-N
XLogP2.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
1,5-Anhydro-2,3,4-Trideoxy-3-{[(4s)-3,3-Dimethyl-1-(8-Methylquinolin-2-Yl)piperidine-4-Carbonyl]amino}-D-Erythro-Hexitol
CID 121313704
2-[(2-Methoxymethyl)piperazin-1-yl]-6-nitroquinoline
CID 11779676
N-(2-(3-isobutyramidopyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018964
(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
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 50825595) is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1.
What is the InChIKey of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is HZXCDKZPDNAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-13-21(25-20-6-5-18(14-19(15)20)24-16(2)27)26-10-7-17(8-11-26)22(28)23-9-4-12-29-3/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 50825595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).