2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one

C28H32N2O4 — CID 54780419

IUPAC2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
SMILESCCC1(c2ccc(OCCOc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C28H32N2O4/c1-3-28(29-26-13-8-7-12-25(26)27(31)30(28)18-9-19-32-2)22-14-16-24(17-15-22)34-21-20-33-23-10-5-4-6-11-23/h4-8,10-17,29H,3,9,18-21H2,1-2H3
InChIKeyVNPYOJJHIZQNDO-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.31
Rot. Bonds11

About 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one

2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54780419) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54780419
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
SMILESCCC1(c2ccc(OCCOc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C28H32N2O4/c1-3-28(29-26-13-8-7-12-25(26)27(31)30(28)18-9-19-32-2)22-14-16-24(17-15-22)34-21-20-33-23-10-5-4-6-11-23/h4-8,10-17,29H,3,9,18-21H2,1-2H3
InChIKeyVNPYOJJHIZQNDO-UHFFFAOYSA-N
XLogP5.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.31
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-butan-2-yloxyphenyl)-2-ethyl-3-(3-methoxypropyl)-1H-quinazolin-4-one
CID 54778267
3-butyl-2-[4-(2-ethoxyethoxy)phenyl]-2-ethyl-1H-quinazolin-4-one
CID 54778577
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
2-ethyl-2-(4-prop-2-enoxyphenyl)-3-propyl-1H-quinazolin-4-one
CID 54780497
2-ethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54780551
3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54778341
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
2,3-diethyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780558
2-ethyl-2-(4-pentoxyphenyl)-3-propan-2-yl-1H-quinazolin-4-one
CID 54777925

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one (CID 54780419) is 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one is CCC1(c2ccc(OCCOc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCCOC.
What is the InChIKey of 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is VNPYOJJHIZQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-28(29-26-13-8-7-12-25(26)27(31)30(28)18-9-19-32-2)22-14-16-24(17-15-22)34-21-20-33-23-10-5-4-6-11-23/h4-8,10-17,29H,3,9,18-21H2,1-2H3.
What are the key properties of 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one?
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one has a molecular weight of 460.57 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54780419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).