3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one

C22H27N3O2 — CID 136821833

IUPAC3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
SMILESCCN(CCCn1cnc2ccccc2c1=O)CCc1ccc(OC)cc1
InChIInChI=1S/C22H27N3O2/c1-3-24(16-13-18-9-11-19(27-2)12-10-18)14-6-15-25-17-23-21-8-5-4-7-20(21)22(25)26/h4-5,7-12,17H,3,6,13-16H2,1-2H3
InChIKeyTWNRRIKTNGOWAS-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.36
Rot. Bonds9

About 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one

3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one (PubChem CID 136821833) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
PubChem CID136821833
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
SMILESCCN(CCCn1cnc2ccccc2c1=O)CCc1ccc(OC)cc1
InChIInChI=1S/C22H27N3O2/c1-3-24(16-13-18-9-11-19(27-2)12-10-18)14-6-15-25-17-23-21-8-5-4-7-20(21)22(25)26/h4-5,7-12,17H,3,6,13-16H2,1-2H3
InChIKeyTWNRRIKTNGOWAS-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
3-propylquinazolin-4-one
CID 529124
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 7628279
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
CID 110185060
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one (CID 136821833) is 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one is CCN(CCCn1cnc2ccccc2c1=O)CCc1ccc(OC)cc1.
What is the InChIKey of 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one?
The InChIKey is TWNRRIKTNGOWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24(16-13-18-9-11-19(27-2)12-10-18)14-6-15-25-17-23-21-8-5-4-7-20(21)22(25)26/h4-5,7-12,17H,3,6,13-16H2,1-2H3.
What are the key properties of 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one?
3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one has a molecular weight of 365.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one is sourced from PubChem (CID 136821833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).