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

C19H22N2O3 — CID 54777988

IUPAC3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1cccc(OCCOC)c1
InChIInChI=1S/C19H22N2O3/c1-3-21-18(20-17-10-5-4-9-16(17)19(21)22)14-7-6-8-15(13-14)24-12-11-23-2/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyJHMTUQFCGNEZPD-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.30
Rot. Bonds6

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

3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 54777988) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID54777988
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1cccc(OCCOC)c1
InChIInChI=1S/C19H22N2O3/c1-3-21-18(20-17-10-5-4-9-16(17)19(21)22)14-7-6-8-15(13-14)24-12-11-23-2/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyJHMTUQFCGNEZPD-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-(3-butoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778277
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 54777988) is 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1cccc(OCCOC)c1.
What is the InChIKey of 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is JHMTUQFCGNEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-21-18(20-17-10-5-4-9-16(17)19(21)22)14-7-6-8-15(13-14)24-12-11-23-2/h4-10,13,18,20H,3,11-12H2,1-2H3.
What are the key properties of 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).