7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one

C11H12BrN3O — CID 136705321

IUPAC7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
SMILESCNCCc1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C11H12BrN3O/c1-13-5-4-10-14-9-6-7(12)2-3-8(9)11(16)15-10/h2-3,6,13H,4-5H2,1H3,(H,14,15,16)
InChIKeyNIWIYVGRBDCCTP-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.45
Rot. Bonds3

About 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one

7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one (PubChem CID 136705321) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
PubChem CID136705321
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
SMILESCNCCc1nc2cc(Br)ccc2c(=O)[nH]1
InChIInChI=1S/C11H12BrN3O/c1-13-5-4-10-14-9-6-7(12)2-3-8(9)11(16)15-10/h2-3,6,13H,4-5H2,1H3,(H,14,15,16)
InChIKeyNIWIYVGRBDCCTP-UHFFFAOYSA-N
XLogP1.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(7-bromo-4-oxo-3H-quinazolin-2-yl)pentyl]carbamate
CID 178029382
7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
CID 136661154
9H-fluoren-9-ylmethyl N-[3-(7-bromo-4-oxo-3H-quinazolin-2-yl)propyl]carbamate
CID 136643763
7-bromo-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-3H-quinazolin-4-one
CID 138712534
2-(methylaminomethyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900817
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
7-bromo-2-(1-fluoropentyl)-3H-quinazolin-4-one
CID 137298042
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
2-(7-bromo-4-oxo-3H-quinazolin-2-yl)-4-chloro-3-hydroxybut-2-enenitrile
CID 154039189
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
CID 136999264

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one (CID 136705321) is 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one is CNCCc1nc2cc(Br)ccc2c(=O)[nH]1.
What is the InChIKey of 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one?
The InChIKey is NIWIYVGRBDCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-13-5-4-10-14-9-6-7(12)2-3-8(9)11(16)15-10/h2-3,6,13H,4-5H2,1H3,(H,14,15,16).
What are the key properties of 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one?
7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one has a molecular weight of 282.14 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136705321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).