2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one

C19H18N2O3 — CID 168553090

IUPAC2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OC2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c22-19-14-5-1-3-7-16(14)20-18(21-19)15-6-2-4-8-17(15)24-13-9-11-23-12-10-13/h1-8,13H,9-12H2,(H,20,21,22)
InChIKeyRNYCWCTULMWNSS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one

2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168553090) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
PubChem CID168553090
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2OC2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H18N2O3/c22-19-14-5-1-3-7-16(14)20-18(21-19)15-6-2-4-8-17(15)24-13-9-11-23-12-10-13/h1-8,13H,9-12H2,(H,20,21,22)
InChIKeyRNYCWCTULMWNSS-UHFFFAOYSA-N
XLogP3.15
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one (CID 168553090) is 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2OC2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is RNYCWCTULMWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19-14-5-1-3-7-16(14)20-18(21-19)15-6-2-4-8-17(15)24-13-9-11-23-12-10-13/h1-8,13H,9-12H2,(H,20,21,22).
What are the key properties of 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one?
2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).