3-phenylmethoxy-1-propyl-4H-quinazolin-2-one

C18H20N2O2 — CID 174994528

IUPAC3-phenylmethoxy-1-propyl-4H-quinazolin-2-one
SMILESCCCN1C(=O)N(OCc2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-12-19-17-11-7-6-10-16(17)13-20(18(19)21)22-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyDUIFRRHKVVMVBA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.97
Rot. Bonds5

About 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one

3-phenylmethoxy-1-propyl-4H-quinazolin-2-one (PubChem CID 174994528) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name3-phenylmethoxy-1-propyl-4H-quinazolin-2-one
PubChem CID174994528
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-phenylmethoxy-1-propyl-4H-quinazolin-2-one
SMILESCCCN1C(=O)N(OCc2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-12-19-17-11-7-6-10-16(17)13-20(18(19)21)22-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyDUIFRRHKVVMVBA-UHFFFAOYSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one?
The IUPAC name of 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one (CID 174994528) is 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one.
What is the SMILES notation for 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one?
The canonical SMILES for 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one is CCCN1C(=O)N(OCc2ccccc2)Cc2ccccc21.
What is the InChIKey of 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one?
The InChIKey is DUIFRRHKVVMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-12-19-17-11-7-6-10-16(17)13-20(18(19)21)22-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one?
3-phenylmethoxy-1-propyl-4H-quinazolin-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1-propyl-4H-quinazolin-2-one is sourced from PubChem (CID 174994528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).