(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

C19H15N3O — CID 9006944

IUPAC(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccc1
InChIInChI=1S/C19H15N3O/c23-19-16-8-4-5-9-17(16)21-18(14-10-12-20-13-11-14)22(19)15-6-2-1-3-7-15/h1-13,18,21H/t18-/m0/s1
InChIKeyPBRZGRLPBGLKOF-SFHVURJKSA-N
MW301.35 g/mol
LogP3.85
Rot. Bonds2

About (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one

(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9006944) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID9006944
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccc1
InChIInChI=1S/C19H15N3O/c23-19-16-8-4-5-9-17(16)21-18(14-10-12-20-13-11-14)22(19)15-6-2-1-3-7-15/h1-13,18,21H/t18-/m0/s1
InChIKeyPBRZGRLPBGLKOF-SFHVURJKSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 9006944) is (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is PBRZGRLPBGLKOF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15N3O/c23-19-16-8-4-5-9-17(16)21-18(14-10-12-20-13-11-14)22(19)15-6-2-1-3-7-15/h1-13,18,21H/t18-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).