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

C19H22N2O2 — CID 54778646

IUPAC3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-5-8-15(13-14)18-20-17-10-4-3-9-16(17)19(22)21(18)11-6-12-23-2/h3-5,7-10,13,18,20H,6,11-12H2,1-2H3
InChIKeyHNRVEIBGTTVXRI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds5

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

3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778646) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778646
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2NC1c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-14-7-5-8-15(13-14)18-20-17-10-4-3-9-16(17)19(22)21(18)11-6-12-23-2/h3-5,7-10,13,18,20H,6,11-12H2,1-2H3
InChIKeyHNRVEIBGTTVXRI-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 54778646) is 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2NC1c1cccc(C)c1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is HNRVEIBGTTVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-7-5-8-15(13-14)18-20-17-10-4-3-9-16(17)19(22)21(18)11-6-12-23-2/h3-5,7-10,13,18,20H,6,11-12H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).