1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide

C19H24N4O4 — CID 7586451

IUPAC1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C19H24N4O4/c1-12(24)23-8-2-3-13-4-5-15(11-16(13)23)21-18(26)19(27)22-9-6-14(7-10-22)17(20)25/h4-5,11,14H,2-3,6-10H2,1H3,(H2,20,25)(H,21,26)
InChIKeyFBTOZQQNVHEEEF-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.65
Rot. Bonds2

About 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide

1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 7586451) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID7586451
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc21
InChIInChI=1S/C19H24N4O4/c1-12(24)23-8-2-3-13-4-5-15(11-16(13)23)21-18(26)19(27)22-9-6-14(7-10-22)17(20)25/h4-5,11,14H,2-3,6-10H2,1H3,(H2,20,25)(H,21,26)
InChIKeyFBTOZQQNVHEEEF-UHFFFAOYSA-N
XLogP0.65
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
CID 7586298
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
CID 7586388
1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902219
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide (CID 7586451) is 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide is CC(=O)N1CCCc2ccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)cc21.
What is the InChIKey of 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is FBTOZQQNVHEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12(24)23-8-2-3-13-4-5-15(11-16(13)23)21-18(26)19(27)22-9-6-14(7-10-22)17(20)25/h4-5,11,14H,2-3,6-10H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 7586451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).