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

C20H17N3O2 — CID 654405

IUPAC3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1
InChIInChI=1S/C20H17N3O2/c1-25-18-9-5-4-8-17(18)23-19(14-10-12-21-13-11-14)22-16-7-3-2-6-15(16)20(23)24/h2-13,19,22H,1H3
InChIKeyPFZPWZMOJRXVAN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.86
Rot. Bonds3

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

3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 654405) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID654405
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1
InChIInChI=1S/C20H17N3O2/c1-25-18-9-5-4-8-17(18)23-19(14-10-12-21-13-11-14)22-16-7-3-2-6-15(16)20(23)24/h2-13,19,22H,1H3
InChIKeyPFZPWZMOJRXVAN-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one (CID 654405) is 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is PFZPWZMOJRXVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-18-9-5-4-8-17(18)23-19(14-10-12-21-13-11-14)22-16-7-3-2-6-15(16)20(23)24/h2-13,19,22H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one?
3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 654405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).