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

C25H26N2O3 — CID 54780303

IUPAC3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-29-17-9-16-27-24(26-22-14-7-5-12-20(22)25(27)28)21-13-6-8-15-23(21)30-18-19-10-3-2-4-11-19/h2-8,10-15,24,26H,9,16-18H2,1H3
InChIKeyITPLCTZSUPFIPD-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.87
Rot. Bonds8

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

3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54780303) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54780303
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-29-17-9-16-27-24(26-22-14-7-5-12-20(22)25(27)28)21-13-6-8-15-23(21)30-18-19-10-3-2-4-11-19/h2-8,10-15,24,26H,9,16-18H2,1H3
InChIKeyITPLCTZSUPFIPD-UHFFFAOYSA-N
XLogP4.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54780303) is 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ITPLCTZSUPFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-17-9-16-27-24(26-22-14-7-5-12-20(22)25(27)28)21-13-6-8-15-23(21)30-18-19-10-3-2-4-11-19/h2-8,10-15,24,26H,9,16-18H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 402.49 g/mol, XLogP of 4.87, 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-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54780303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).