5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde

C15H11BrN2O2 — CID 50994228

IUPAC5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde
SMILESO=CN1C(=O)Nc2cccc(Br)c2C1c1ccccc1
InChIInChI=1S/C15H11BrN2O2/c16-11-7-4-8-12-13(11)14(10-5-2-1-3-6-10)18(9-19)15(20)17-12/h1-9,14H,(H,17,20)
InChIKeyHINGQQMQTRMLRG-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds2

About 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde

5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde (PubChem CID 50994228) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde
PubChem CID50994228
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde
SMILESO=CN1C(=O)Nc2cccc(Br)c2C1c1ccccc1
InChIInChI=1S/C15H11BrN2O2/c16-11-7-4-8-12-13(11)14(10-5-2-1-3-6-10)18(9-19)15(20)17-12/h1-9,14H,(H,17,20)
InChIKeyHINGQQMQTRMLRG-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 2927305
(2R,3S,4S)-N-(3-bromophenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 44562761
(s)-N-(m-bromophenyl)-1-phenyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
CID 135391666
5-Bromo-3,4-dihydro-3-methylquinazolin-2(1H)-one
CID 18444524
7-Bromo-3,4-dihydro-2(1H)-quinazolinone
CID 46856483
5-Bromo-3,4-dihydroquinazolin-2(1H)-one
CID 68918301
1-(3-Bromo-2-methylphenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 107640380
N-(3-Bromophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-YL)methyl]piperidine-1-carboxamide
CID 6626049
5-bromo-1-[(2-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 18444518
5-bromo-1-(3-fluoro-benzyl)-3-methyl-3,4-dihydro-1H-quinazolin-2-one
CID 18444519
5-bromo-1-[(4-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 18444521
1-[(3-fluorophenyl)methyl]-3-methyl-5-methylbromanuidyl-4H-quinazolin-2-one
CID 143078851

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde?
The IUPAC name of 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde (CID 50994228) is 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde is O=CN1C(=O)Nc2cccc(Br)c2C1c1ccccc1.
What is the InChIKey of 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde?
The InChIKey is HINGQQMQTRMLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-11-7-4-8-12-13(11)14(10-5-2-1-3-6-10)18(9-19)15(20)17-12/h1-9,14H,(H,17,20).
What are the key properties of 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde?
5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde has a molecular weight of 331.17 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-4-phenyl-1,4-dihydroquinazoline-3-carbaldehyde is sourced from PubChem (CID 50994228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).