2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one

C23H28N2O3 — CID 54777762

IUPAC2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H28N2O3/c1-3-13-25-22(26)20-11-4-5-12-21(20)24-23(25,2)17-8-6-9-18(15-17)28-16-19-10-7-14-27-19/h4-6,8-9,11-12,15,19,24H,3,7,10,13-14,16H2,1-2H3
InChIKeyUNKIGGHARHDFPD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.39
Rot. Bonds6

About 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one

2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one (PubChem CID 54777762) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
PubChem CID54777762
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C23H28N2O3/c1-3-13-25-22(26)20-11-4-5-12-21(20)24-23(25,2)17-8-6-9-18(15-17)28-16-19-10-7-14-27-19/h4-6,8-9,11-12,15,19,24H,3,7,10,13-14,16H2,1-2H3
InChIKeyUNKIGGHARHDFPD-UHFFFAOYSA-N
XLogP4.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one (CID 54777762) is 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one is CCCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
The InChIKey is UNKIGGHARHDFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-13-25-22(26)20-11-4-5-12-21(20)24-23(25,2)17-8-6-9-18(15-17)28-16-19-10-7-14-27-19/h4-6,8-9,11-12,15,19,24H,3,7,10,13-14,16H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one?
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one has a molecular weight of 380.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one is sourced from PubChem (CID 54777762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).