3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one

C20H22N2O4 — CID 42952061

IUPAC3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
SMILESCOc1ccc(COCC(O)Cn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-21-19-6-4-3-5-18(19)20(24)22(14)11-16(23)13-26-12-15-7-9-17(25-2)10-8-15/h3-10,16,23H,11-13H2,1-2H3
InChIKeySFSKKTRNVODNGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.29
Rot. Bonds7

About 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one

3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one (PubChem CID 42952061) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
PubChem CID42952061
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
SMILESCOc1ccc(COCC(O)Cn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-21-19-6-4-3-5-18(19)20(24)22(14)11-16(23)13-26-12-15-7-9-17(25-2)10-8-15/h3-10,16,23H,11-13H2,1-2H3
InChIKeySFSKKTRNVODNGK-UHFFFAOYSA-N
XLogP2.29
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 110885773
3-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 94796342
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 51112859
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 24562597
1-[(4-methoxyphenyl)methoxy]-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411365
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one (CID 42952061) is 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one is COc1ccc(COCC(O)Cn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one?
The InChIKey is SFSKKTRNVODNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-21-19-6-4-3-5-18(19)20(24)22(14)11-16(23)13-26-12-15-7-9-17(25-2)10-8-15/h3-10,16,23H,11-13H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one?
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 42952061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).