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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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).