3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide

C25H32N4O3 — CID 3549664

IUPAC3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
SMILESCCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-19-11-13-20(14-12-19)29-24(31)27-22-10-5-4-9-21(22)25(29,32)23(30)26-15-8-18-28-16-6-3-7-17-28/h4-5,9-14,32H,2-3,6-8,15-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyJJQXBVPJDOZKBR-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.44
Rot. Bonds7

About 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide

3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide (PubChem CID 3549664) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
PubChem CID3549664
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
SMILESCCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-19-11-13-20(14-12-19)29-24(31)27-22-10-5-4-9-21(22)25(29,32)23(30)26-15-8-18-28-16-6-3-7-17-28/h4-5,9-14,32H,2-3,6-8,15-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyJJQXBVPJDOZKBR-UHFFFAOYSA-N
XLogP3.44
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 3490664
(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 92653839
N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 46504566
N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 5213688
(4R)-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 93156073
6-bromo-3-(4-ethylphenyl)-4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 3470593
3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319482
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 131841981
6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 5203885
(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
CID 796894
4-ethyl-2-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 123849951
2-methyl-3-[4-[(2R)-1-oxo-1-(3-piperidin-1-ylpropylamino)propan-2-yl]phenyl]propanoic acid
CID 11667656

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide (CID 3549664) is 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide is CCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCCCN2CCCCC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide?
The InChIKey is JJQXBVPJDOZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-19-11-13-20(14-12-19)29-24(31)27-22-10-5-4-9-21(22)25(29,32)23(30)26-15-8-18-28-16-6-3-7-17-28/h4-5,9-14,32H,2-3,6-8,15-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide?
3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).