2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one

C12H13ClFN3O — CID 117264434

IUPAC2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2cc(F)ccc2c1=O
InChIInChI=1S/C12H13ClFN3O/c1-7(15-2)6-17-11(18)9-4-3-8(14)5-10(9)16-12(17)13/h3-5,7,15H,6H2,1-2H3
InChIKeyKBLQJLOVJKCVQZ-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one

2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one (PubChem CID 117264434) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
PubChem CID117264434
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
SMILESCNC(C)Cn1c(Cl)nc2cc(F)ccc2c1=O
InChIInChI=1S/C12H13ClFN3O/c1-7(15-2)6-17-11(18)9-4-3-8(14)5-10(9)16-12(17)13/h3-5,7,15H,6H2,1-2H3
InChIKeyKBLQJLOVJKCVQZ-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-fluoro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264428
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
CID 84791133
7-fluoro-4-[2-(methylamino)propyl]-3H-quinazolin-2-one
CID 105496020
2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264403
2-(2-chloro-6-fluoro-4-oxoquinazolin-3-yl)acetonitrile
CID 131336834
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46361113
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117264397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one?
The IUPAC name of 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one (CID 117264434) is 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one?
The canonical SMILES for 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one is CNC(C)Cn1c(Cl)nc2cc(F)ccc2c1=O.
What is the InChIKey of 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one?
The InChIKey is KBLQJLOVJKCVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-7(15-2)6-17-11(18)9-4-3-8(14)5-10(9)16-12(17)13/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one?
2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one has a molecular weight of 269.71 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 117264434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).