3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one

C23H30N2O3 — CID 54778341

IUPAC3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-17(2)16-28-19-12-10-18(11-13-19)23(3)24-21-9-6-5-8-20(21)22(26)25(23)14-7-15-27-4/h5-6,8-13,17,24H,7,14-16H2,1-4H3
InChIKeyNWCSKUZAXDFCTA-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.50
Rot. Bonds8

About 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one

3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54778341) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54778341
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-17(2)16-28-19-12-10-18(11-13-19)23(3)24-21-9-6-5-8-20(21)22(26)25(23)14-7-15-27-4/h5-6,8-13,17,24H,7,14-16H2,1-4H3
InChIKeyNWCSKUZAXDFCTA-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.50
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

3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
2-ethyl-3-(3-methoxypropyl)-2-[4-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780419
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
3-benzyl-2-methyl-2-[4-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54779256
3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
CID 54778619
3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54777990
3-butyl-2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780126
2-(4-butan-2-yloxyphenyl)-2-ethyl-3-(3-methoxypropyl)-1H-quinazolin-4-one
CID 54778267
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-tert-butyl-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778264
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one (CID 54778341) is 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is NWCSKUZAXDFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(2)16-28-19-12-10-18(11-13-19)23(3)24-21-9-6-5-8-20(21)22(26)25(23)14-7-15-27-4/h5-6,8-13,17,24H,7,14-16H2,1-4H3.
What are the key properties of 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one has a molecular weight of 382.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).