2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C23H28N2O4 — CID 24512402

IUPAC2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2CC2CCCO2)ccc1OC(C)C
InChIInChI=1S/C23H28N2O4/c1-15(2)29-20-11-10-16(13-21(20)27-3)22-24-19-9-5-4-8-18(19)23(26)25(22)14-17-7-6-12-28-17/h4-5,8-11,13,15,17,22,24H,6-7,12,14H2,1-3H3
InChIKeyMCFUNSSPZSLFKV-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 24512402) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID24512402
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2CC2CCCO2)ccc1OC(C)C
InChIInChI=1S/C23H28N2O4/c1-15(2)29-20-11-10-16(13-21(20)27-3)22-24-19-9-5-4-8-18(19)23(26)25(22)14-17-7-6-12-28-17/h4-5,8-11,13,15,17,22,24H,6-7,12,14H2,1-3H3
InChIKeyMCFUNSSPZSLFKV-UHFFFAOYSA-N
XLogP4.23
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779756
(2R)-2-(3-fluoro-4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038506
3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779750
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
N-ethyl-2-[2-methoxy-4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 51546802
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 51546805
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
(2S)-3-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 26638808
(2R)-2-(3-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 95167778
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
methyl 4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]benzoate
CID 25337703
(2R)-2-(4-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384441

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 24512402) is 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is COc1cc(C2Nc3ccccc3C(=O)N2CC2CCCO2)ccc1OC(C)C.
What is the InChIKey of 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MCFUNSSPZSLFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)29-20-11-10-16(13-21(20)27-3)22-24-19-9-5-4-8-18(19)23(26)25(22)14-17-7-6-12-28-17/h4-5,8-11,13,15,17,22,24H,6-7,12,14H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 396.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 24512402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).