N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide

C20H23N3O4 — CID 5213688

IUPACN-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-4-12-21-18(24)20(26)16-10-5-6-11-17(16)22-19(25)23(20)14-8-7-9-15(13-14)27-2/h5-11,13,26H,3-4,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMJDWBIDFAGQFLJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.81
Rot. Bonds6

About N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide

N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 5213688) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID5213688
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-4-12-21-18(24)20(26)16-10-5-6-11-17(16)22-19(25)23(20)14-8-7-9-15(13-14)27-2/h5-11,13,26H,3-4,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMJDWBIDFAGQFLJ-UHFFFAOYSA-N
XLogP2.81
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.81
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

(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 92653839
2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethylazanium
CID 4057809
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 3470586
4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 4047900
(4S)-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-quinazoline-4-carboxamide
CID 95041927
(4R)-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 93156073
3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
CID 3549664
3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319482
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(4R)-N,N-diethyl-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
CID 796894
N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 3490664
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 5213688) is N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide is CCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1.
What is the InChIKey of N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is MJDWBIDFAGQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-4-12-21-18(24)20(26)16-10-5-6-11-17(16)22-19(25)23(20)14-8-7-9-15(13-14)27-2/h5-11,13,26H,3-4,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 5213688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).