6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide

C18H17BrClN3O3 — CID 3470584

IUPAC6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide
SMILESCCCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17BrClN3O3/c1-2-9-21-16(24)18(26)14-10-11(19)3-8-15(14)22-17(25)23(18)13-6-4-12(20)5-7-13/h3-8,10,26H,2,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyVITHXFFUGGZPLE-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.83
Rot. Bonds4

About 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide

6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide (PubChem CID 3470584) has the molecular formula C18H17BrClN3O3 and a molecular weight of 438.71 g/mol. Its IUPAC name is 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide
PubChem CID3470584
Molecular FormulaC18H17BrClN3O3
Molecular Weight438.71 g/mol
Exact Mass437.01
IUPAC Name6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide
SMILESCCCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17BrClN3O3/c1-2-9-21-16(24)18(26)14-10-11(19)3-8-15(14)22-17(25)23(18)13-6-4-12(20)5-7-13/h3-8,10,26H,2,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyVITHXFFUGGZPLE-UHFFFAOYSA-N
XLogP3.83
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide?
The IUPAC name of 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide (CID 3470584) is 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide is CCCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide?
The InChIKey is VITHXFFUGGZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O3/c1-2-9-21-16(24)18(26)14-10-11(19)3-8-15(14)22-17(25)23(18)13-6-4-12(20)5-7-13/h3-8,10,26H,2,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide?
6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide has a molecular weight of 438.71 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3470584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).