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

C18H14N4O — CID 673215

IUPAC(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccn1
InChIInChI=1S/C18H14N4O/c23-18-14-5-1-2-6-15(14)21-17(13-8-11-19-12-9-13)22(18)16-7-3-4-10-20-16/h1-12,17,21H/t17-/m0/s1
InChIKeyHNXPTEGOEYUSBH-KRWDZBQOSA-N
MW302.34 g/mol
LogP3.25
Rot. Bonds2

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

(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 673215) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID673215
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccn1
InChIInChI=1S/C18H14N4O/c23-18-14-5-1-2-6-15(14)21-17(13-8-11-19-12-9-13)22(18)16-7-3-4-10-20-16/h1-12,17,21H/t17-/m0/s1
InChIKeyHNXPTEGOEYUSBH-KRWDZBQOSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
(2R)-3-(2-chlorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 673060
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4670743
(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 40671026
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
2-(5-methylthiophen-2-yl)-3-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 71625882
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947

Frequently Asked Questions

What is the IUPAC name of (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 673215) is (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccn1.
What is the InChIKey of (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is HNXPTEGOEYUSBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-14-5-1-2-6-15(14)21-17(13-8-11-19-12-9-13)22(18)16-7-3-4-10-20-16/h1-12,17,21H/t17-/m0/s1.
What are the key properties of (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 302.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-pyridin-2-yl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 673215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).