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

C23H32N4O3 — CID 50825502

IUPAC1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1
InChIInChI=1S/C23H32N4O3/c1-4-30-13-5-10-24-23(29)18-8-11-27(12-9-18)22-14-16(2)20-15-19(25-17(3)28)6-7-21(20)26-22/h6-7,14-15,18H,4-5,8-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyWRLZLUFLXDTPJD-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.26
Rot. Bonds8

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

1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 50825502) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID50825502
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1
InChIInChI=1S/C23H32N4O3/c1-4-30-13-5-10-24-23(29)18-8-11-27(12-9-18)22-14-16(2)20-15-19(25-17(3)28)6-7-21(20)26-22/h6-7,14-15,18H,4-5,8-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyWRLZLUFLXDTPJD-UHFFFAOYSA-N
XLogP3.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
(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
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-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16021395
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 50825502) is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3n2)CC1.
What is the InChIKey of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is WRLZLUFLXDTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-30-13-5-10-24-23(29)18-8-11-27(12-9-18)22-14-16(2)20-15-19(25-17(3)28)6-7-21(20)26-22/h6-7,14-15,18H,4-5,8-13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.26, 8 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-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 50825502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).