2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C14H13BrN4O — CID 71210265

IUPAC2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cnccc1Br)C2
InChIInChI=1S/C14H13BrN4O/c1-7-13-11(19-14(16)18-7)4-8(5-12(13)20)9-6-17-3-2-10(9)15/h2-3,6,8H,4-5H2,1H3,(H2,16,18,19)
InChIKeyZHZCNXKNQQVKIJ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.44
Rot. Bonds1

About 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210265) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210265
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cnccc1Br)C2
InChIInChI=1S/C14H13BrN4O/c1-7-13-11(19-14(16)18-7)4-8(5-12(13)20)9-6-17-3-2-10(9)15/h2-3,6,8H,4-5H2,1H3,(H2,16,18,19)
InChIKeyZHZCNXKNQQVKIJ-UHFFFAOYSA-N
XLogP2.44
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71210258
2-acetyl-5-(2-bromophenyl)cyclohexane-1,3-dione;2-amino-7-(2-bromophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 161438359
2-amino-7-(2-bromophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one;methyl 2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)benzoate
CID 160547949
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210237
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
2-amino-7-[4-fluoro-2-(6-methoxypyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451789
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210232
2-amino-7-[4-fluoro-2-(6-methoxy-5-methylpyrazin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450112

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 71210265) is 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1cnccc1Br)C2.
What is the InChIKey of 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZHZCNXKNQQVKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-7-13-11(19-14(16)18-7)4-8(5-12(13)20)9-6-17-3-2-10(9)15/h2-3,6,8H,4-5H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 333.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).