3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one

C21H25N3O — CID 23736145

IUPAC3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
SMILESCCN(CC)CCCn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H25N3O/c1-3-23(4-2)15-10-16-24-20(17-11-6-5-7-12-17)22-19-14-9-8-13-18(19)21(24)25/h5-9,11-14H,3-4,10,15-16H2,1-2H3
InChIKeyWGGBZYXUKHRQSP-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.80
Rot. Bonds7

About 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one

3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one (PubChem CID 23736145) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
PubChem CID23736145
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
SMILESCCN(CC)CCCn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H25N3O/c1-3-23(4-2)15-10-16-24-20(17-11-6-5-7-12-17)22-19-14-9-8-13-18(19)21(24)25/h5-9,11-14H,3-4,10,15-16H2,1-2H3
InChIKeyWGGBZYXUKHRQSP-UHFFFAOYSA-N
XLogP3.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 10936974
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 9375491
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484643
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
(2S)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 9375533

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one (CID 23736145) is 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one is CCN(CC)CCCn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one?
The InChIKey is WGGBZYXUKHRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-23(4-2)15-10-16-24-20(17-11-6-5-7-12-17)22-19-14-9-8-13-18(19)21(24)25/h5-9,11-14H,3-4,10,15-16H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one?
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 23736145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).