6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one

C23H22N4O — CID 58187206

IUPAC6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H22N4O/c1-16-25-21-12-11-19(26(2)3)14-20(21)23(28)27(16)22(17-8-5-4-6-9-17)18-10-7-13-24-15-18/h4-15,22H,1-3H3
InChIKeyYSNZCIVPMQIYFX-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.80
Rot. Bonds4

About 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one

6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one (PubChem CID 58187206) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one
PubChem CID58187206
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one
SMILESCc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1cccnc1
InChIInChI=1S/C23H22N4O/c1-16-25-21-12-11-19(26(2)3)14-20(21)23(28)27(16)22(17-8-5-4-6-9-17)18-10-7-13-24-15-18/h4-15,22H,1-3H3
InChIKeyYSNZCIVPMQIYFX-UHFFFAOYSA-N
XLogP3.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one (CID 58187206) is 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one is Cc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1cccnc1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one?
The InChIKey is YSNZCIVPMQIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-25-21-12-11-19(26(2)3)14-20(21)23(28)27(16)22(17-8-5-4-6-9-17)18-10-7-13-24-15-18/h4-15,22H,1-3H3.
What are the key properties of 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one?
6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one has a molecular weight of 370.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 58187206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).