2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

C27H23N3O3 — CID 2888191

IUPAC2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccccn1
InChIInChI=1S/C27H23N3O3/c1-32-24-15-14-19(17-20(24)18-33-25-13-7-8-16-28-25)26-29-23-12-6-5-11-22(23)27(31)30(26)21-9-3-2-4-10-21/h2-17,26,29H,18H2,1H3
InChIKeyDETDYMJZZFQJKA-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.44
Rot. Bonds6

About 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2888191) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2888191
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccccn1
InChIInChI=1S/C27H23N3O3/c1-32-24-15-14-19(17-20(24)18-33-25-13-7-8-16-28-25)26-29-23-12-6-5-11-22(23)27(31)30(26)21-9-3-2-4-10-21/h2-17,26,29H,18H2,1H3
InChIKeyDETDYMJZZFQJKA-UHFFFAOYSA-N
XLogP5.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 2888191) is 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccccn1.
What is the InChIKey of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is DETDYMJZZFQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-32-24-15-14-19(17-20(24)18-33-25-13-7-8-16-28-25)26-29-23-12-6-5-11-22(23)27(31)30(26)21-9-3-2-4-10-21/h2-17,26,29H,18H2,1H3.
What are the key properties of 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 437.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).