2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

C22H28N2O4 — CID 54778625

IUPAC2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCCOCCOc1cccc(C2Nc3ccccc3C(=O)N2CCCOC)c1
InChIInChI=1S/C22H28N2O4/c1-3-27-14-15-28-18-9-6-8-17(16-18)21-23-20-11-5-4-10-19(20)22(25)24(21)12-7-13-26-2/h4-6,8-11,16,21,23H,3,7,12-15H2,1-2H3
InChIKeyWHYHYDHHYCOJIP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.70
Rot. Bonds10

About 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one

2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778625) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778625
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
SMILESCCOCCOc1cccc(C2Nc3ccccc3C(=O)N2CCCOC)c1
InChIInChI=1S/C22H28N2O4/c1-3-27-14-15-28-18-9-6-8-17(16-18)21-23-20-11-5-4-10-19(20)22(25)24(21)12-7-13-26-2/h4-6,8-11,16,21,23H,3,7,12-15H2,1-2H3
InChIKeyWHYHYDHHYCOJIP-UHFFFAOYSA-N
XLogP3.70
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.70
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

3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one (CID 54778625) is 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is CCOCCOc1cccc(C2Nc3ccccc3C(=O)N2CCCOC)c1.
What is the InChIKey of 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WHYHYDHHYCOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-27-14-15-28-18-9-6-8-17(16-18)21-23-20-11-5-4-10-19(20)22(25)24(21)12-7-13-26-2/h4-6,8-11,16,21,23H,3,7,12-15H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one?
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 384.48 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).