6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one

C21H24N4O — CID 10936974

IUPAC6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
SMILESCCN(CC)CCCn1c2ccccc2n2c(=O)c3ccccc3nc12
InChIInChI=1S/C21H24N4O/c1-3-23(4-2)14-9-15-24-18-12-7-8-13-19(18)25-20(26)16-10-5-6-11-17(16)22-21(24)25/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyFVGPVZBCXPXNKV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds6

About 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one

6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 10936974) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
PubChem CID10936974
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
SMILESCCN(CC)CCCn1c2ccccc2n2c(=O)c3ccccc3nc12
InChIInChI=1S/C21H24N4O/c1-3-23(4-2)14-9-15-24-18-12-7-8-13-19(18)25-20(26)16-10-5-6-11-17(16)22-21(24)25/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyFVGPVZBCXPXNKV-UHFFFAOYSA-N
XLogP3.53
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one
CID 118731436
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 9375491
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 40727739
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
(2S)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 9375533
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 1427689

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one (CID 10936974) is 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one is CCN(CC)CCCn1c2ccccc2n2c(=O)c3ccccc3nc12.
What is the InChIKey of 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is FVGPVZBCXPXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-23(4-2)14-9-15-24-18-12-7-8-13-19(18)25-20(26)16-10-5-6-11-17(16)22-21(24)25/h5-8,10-13H,3-4,9,14-15H2,1-2H3.
What are the key properties of 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one?
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 348.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 10936974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).