3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one

C22H28N2O3 — CID 54778619

IUPAC3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
SMILESCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C22H28N2O3/c1-4-15-27-20-13-8-6-11-18(20)22(2)23-19-12-7-5-10-17(19)21(25)24(22)14-9-16-26-3/h5-8,10-13,23H,4,9,14-16H2,1-3H3
InChIKeyBMXKTNQUVAFCQS-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.25
Rot. Bonds8

About 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one

3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one (PubChem CID 54778619) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
PubChem CID54778619
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
SMILESCCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCCOC
InChIInChI=1S/C22H28N2O3/c1-4-15-27-20-13-8-6-11-18(20)22(2)23-19-12-7-5-10-17(19)21(25)24(22)14-9-16-26-3/h5-8,10-13,23H,4,9,14-16H2,1-3H3
InChIKeyBMXKTNQUVAFCQS-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.25
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-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one (CID 54778619) is 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one is CCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1CCCOC.
What is the InChIKey of 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is BMXKTNQUVAFCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-15-27-20-13-8-6-11-18(20)22(2)23-19-12-7-5-10-17(19)21(25)24(22)14-9-16-26-3/h5-8,10-13,23H,4,9,14-16H2,1-3H3.
What are the key properties of 3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one?
3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 368.48 g/mol, XLogP of 4.25, 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-(2-propoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).