4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C19H15ClFN3O — CID 25030297

IUPAC4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cccnc1)N2
InChIInChI=1S/C19H15ClFN3O/c20-14-9-12(21)6-7-13(14)18-17-15(4-1-5-16(17)25)23-19(24-18)11-3-2-8-22-10-11/h2-3,6-10,18H,1,4-5H2,(H,23,24)
InChIKeyNIGQGEYWZYKTOF-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.97
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25030297) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25030297
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cccnc1)N2
InChIInChI=1S/C19H15ClFN3O/c20-14-9-12(21)6-7-13(14)18-17-15(4-1-5-16(17)25)23-19(24-18)11-3-2-8-22-10-11/h2-3,6-10,18H,1,4-5H2,(H,23,24)
InChIKeyNIGQGEYWZYKTOF-UHFFFAOYSA-N
XLogP3.97
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25030297) is 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1cccnc1)N2.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is NIGQGEYWZYKTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-14-9-12(21)6-7-13(14)18-17-15(4-1-5-16(17)25)23-19(24-18)11-3-2-8-22-10-11/h2-3,6-10,18H,1,4-5H2,(H,23,24).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 355.80 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25030297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).