6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one

C15H12BrN3O — CID 17409122

IUPAC6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CCc1ccncc1
InChIInChI=1S/C15H12BrN3O/c16-12-1-2-14-13(9-12)15(20)19(10-18-14)8-5-11-3-6-17-7-4-11/h1-4,6-7,9-10H,5,8H2
InChIKeyZFHLOJWSTGAWPZ-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.80
Rot. Bonds3

About 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one

6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one (PubChem CID 17409122) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
PubChem CID17409122
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1CCc1ccncc1
InChIInChI=1S/C15H12BrN3O/c16-12-1-2-14-13(9-12)15(20)19(10-18-14)8-5-11-3-6-17-7-4-11/h1-4,6-7,9-10H,5,8H2
InChIKeyZFHLOJWSTGAWPZ-UHFFFAOYSA-N
XLogP2.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-[2-(6-bromo-4-oxoquinazolin-3-yl)ethyl]isoindole-1,3-dione
CID 7886495
6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 62563598
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 62563601
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one (CID 17409122) is 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1CCc1ccncc1.
What is the InChIKey of 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one?
The InChIKey is ZFHLOJWSTGAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-1-2-14-13(9-12)15(20)19(10-18-14)8-5-11-3-6-17-7-4-11/h1-4,6-7,9-10H,5,8H2.
What are the key properties of 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one?
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one has a molecular weight of 330.19 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 17409122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).