3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H30N2O3 — CID 54778649

IUPAC3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C23H30N2O3/c1-3-4-9-17-28-21-14-8-6-12-19(21)22-24-20-13-7-5-11-18(20)23(26)25(22)15-10-16-27-2/h5-8,11-14,22,24H,3-4,9-10,15-17H2,1-2H3
InChIKeyUJQATJKOODFMBR-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.86
Rot. Bonds10

About 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one

3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778649) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778649
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C23H30N2O3/c1-3-4-9-17-28-21-14-8-6-12-19(21)22-24-20-13-7-5-11-18(20)23(26)25(22)15-10-16-27-2/h5-8,11-14,22,24H,3-4,9-10,15-17H2,1-2H3
InChIKeyUJQATJKOODFMBR-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.86
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-(2-hexoxyphenyl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778650
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780303
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638
3-butyl-2-[2-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780257
3-(2-methoxyethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780311
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54779112
2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778169
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778473

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778649) is 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCCOc1ccccc1C1Nc2ccccc2C(=O)N1CCCOC.
What is the InChIKey of 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UJQATJKOODFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-4-9-17-28-21-14-8-6-12-19(21)22-24-20-13-7-5-11-18(20)23(26)25(22)15-10-16-27-2/h5-8,11-14,22,24H,3-4,9-10,15-17H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 382.50 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).