3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C20H24N2O3 — CID 54778813

IUPAC3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-16-10-8-15(9-11-16)19-21-18-7-5-4-6-17(18)20(23)22(19)12-13-24-3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyWLQJKGZCFIESKT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds6

About 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778813) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778813
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-16-10-8-15(9-11-16)19-21-18-7-5-4-6-17(18)20(23)22(19)12-13-24-3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyWLQJKGZCFIESKT-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 25415336
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54779112
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 32608981

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778813) is 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WLQJKGZCFIESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)25-16-10-8-15(9-11-16)19-21-18-7-5-4-6-17(18)20(23)22(19)12-13-24-3/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 340.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).