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

C18H15ClN4O — CID 25027763

IUPAC4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccccc1Cl)N=C(c1cnccn1)N2
InChIInChI=1S/C18H15ClN4O/c19-12-5-2-1-4-11(12)17-16-13(6-3-7-15(16)24)22-18(23-17)14-10-20-8-9-21-14/h1-2,4-5,8-10,17H,3,6-7H2,(H,22,23)
InChIKeyCLVYHOXMVRJVSA-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.23
Rot. Bonds2

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

4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25027763) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25027763
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccccc1Cl)N=C(c1cnccn1)N2
InChIInChI=1S/C18H15ClN4O/c19-12-5-2-1-4-11(12)17-16-13(6-3-7-15(16)24)22-18(23-17)14-10-20-8-9-21-14/h1-2,4-5,8-10,17H,3,6-7H2,(H,22,23)
InChIKeyCLVYHOXMVRJVSA-UHFFFAOYSA-N
XLogP3.23
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25027763) is 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccccc1Cl)N=C(c1cnccn1)N2.
What is the InChIKey of 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is CLVYHOXMVRJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-12-5-2-1-4-11(12)17-16-13(6-3-7-15(16)24)22-18(23-17)14-10-20-8-9-21-14/h1-2,4-5,8-10,17H,3,6-7H2,(H,22,23).
What are the key properties of 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 338.80 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-pyrazin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25027763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).