4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C18H14ClFN4O — CID 25027762

IUPAC4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cnccn1)N2
InChIInChI=1S/C18H14ClFN4O/c19-12-8-10(20)4-5-11(12)17-16-13(2-1-3-15(16)25)23-18(24-17)14-9-21-6-7-22-14/h4-9,17H,1-3H2,(H,23,24)
InChIKeySLWNHHRWAGOLCJ-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.37
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25027762) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25027762
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cnccn1)N2
InChIInChI=1S/C18H14ClFN4O/c19-12-8-10(20)4-5-11(12)17-16-13(2-1-3-15(16)25)23-18(24-17)14-9-21-6-7-22-14/h4-9,17H,1-3H2,(H,23,24)
InChIKeySLWNHHRWAGOLCJ-UHFFFAOYSA-N
XLogP3.37
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one with MolForge

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Related Compounds

2-(pyridin-3-yl)-4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
CID 25030295
2-(Pyridin-2-yl)-4-phenyl-4,6,7,8-tetrahydroquinazolin-5(1h)-one
CID 25027298
4-(2-Chloro-4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-1,4,6,8-tetrahydroquinazolin-5-one
CID 25027539
4-(2-Chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one
CID 25027541
4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 25030747
4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 25030750
4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 25027297
4-(2-chloro-4-fluorophenyl)-2-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 25027540
2-(Pyrazin-2-yl)-4-(2-chlorophenyl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one
CID 25027763
2-(pyridin-3-yl)-4-(2-chloro-4-fluorophenyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
CID 25030297
2-(pyridin-3-yl)-4-(2-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
CID 25030522
4-(4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 25030523

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25027762) is 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cnccn1)N2.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is SLWNHHRWAGOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-12-8-10(20)4-5-11(12)17-16-13(2-1-3-15(16)25)23-18(24-17)14-9-21-6-7-22-14/h4-9,17H,1-3H2,(H,23,24).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 356.79 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25027762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).