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

C19H20ClN3O3 — CID 5213693

IUPACN-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-12-21-17(24)19(26)15-6-4-5-7-16(15)22-18(25)23(19)14-10-8-13(20)9-11-14/h4-11,26H,2-3,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPGNQYYPRCJPCH-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds5

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

N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 5213693) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID5213693
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-12-21-17(24)19(26)15-6-4-5-7-16(15)22-18(25)23(19)14-10-8-13(20)9-11-14/h4-11,26H,2-3,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPGNQYYPRCJPCH-UHFFFAOYSA-N
XLogP3.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-hydroxy-3-(4-methyl-1-piperidinyl)-1,3-dihydro-2H-indol-2-one
CID 2934600
5-chloro-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 22332435
3-(3,4-dichlorophenyl)-4-hydroxy-N-isopropyl-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3245610
N-(sec-butyl)-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3549654
3-(4-chlorophenyl)-4-hydroxy-N-(3-methylbutyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 5084603
N-{2-[benzyl(methyl)amino]ethyl}-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3242859
6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3470584
N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3245305
6-bromo-3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3470590
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4246372
N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4531843
3-(3,4-dichlorophenyl)-N-[3-(diethylamino)-2-methylpropyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4531863

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (CID 5213693) is N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is CCCCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is QPGNQYYPRCJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-2-3-12-21-17(24)19(26)15-6-4-5-7-16(15)22-18(25)23(19)14-10-8-13(20)9-11-14/h4-11,26H,2-3,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 5213693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).