8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

C20H25ClN6O — CID 156596362

IUPAC8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCc1cnc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)n1C
InChIInChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28)
InChIKeyHVYNZDGGVRBTFE-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.37
Rot. Bonds5

About 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one

8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (PubChem CID 156596362) has the molecular formula C20H25ClN6O and a molecular weight of 400.91 g/mol. Its IUPAC name is 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
PubChem CID156596362
Molecular FormulaC20H25ClN6O
Molecular Weight400.91 g/mol
Exact Mass400.18
IUPAC Name8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one
SMILESCc1cnc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)n1C
InChIInChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28)
InChIKeyHVYNZDGGVRBTFE-UHFFFAOYSA-N
XLogP2.37
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5328712
(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
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5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
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8-Chloro-3-ethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10016265
8-Chloro-3-diethylaminomethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10449469
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
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CID 1473674
6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic acid (1-isobutyl-piperidin-4-ylmethyl)-amide
CID 5324247
8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10381158
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10451197
N-(5-chloropyridin-2-yl)-2-(4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)benzamido)benzamide
CID 10113744
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)benzamido)benzamide
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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one (CID 156596362) is 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is Cc1cnc(N2CCN(CCCc3nc4c(Cl)cccc4c(=O)[nH]3)CC2)n1C.
What is the InChIKey of 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
The InChIKey is HVYNZDGGVRBTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28).
What are the key properties of 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one?
8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one has a molecular weight of 400.91 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 156596362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).