2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C20H24N2O4 — CID 54778826

IUPAC2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1
InChIInChI=1S/C20H24N2O4/c1-24-12-11-22-19(21-18-6-4-3-5-17(18)20(22)23)15-7-9-16(10-8-15)26-14-13-25-2/h3-10,19,21H,11-14H2,1-2H3
InChIKeyLQQSCRWZCXDOHY-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.92
Rot. Bonds8

About 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778826) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778826
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1
InChIInChI=1S/C20H24N2O4/c1-24-12-11-22-19(21-18-6-4-3-5-17(18)20(22)23)15-7-9-16(10-8-15)26-14-13-25-2/h3-10,19,21H,11-14H2,1-2H3
InChIKeyLQQSCRWZCXDOHY-UHFFFAOYSA-N
XLogP2.92
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 25415336
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 54778826) is 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCOc1ccc(C2Nc3ccccc3C(=O)N2CCOC)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LQQSCRWZCXDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-12-11-22-19(21-18-6-4-3-5-17(18)20(22)23)15-7-9-16(10-8-15)26-14-13-25-2/h3-10,19,21H,11-14H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 356.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).