[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone

C24H27N3O — CID 9109587

IUPAC[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCC(C)c1ccc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)20-9-7-19(8-10-20)17-26-13-15-27(16-14-26)24(28)23-12-11-21-5-3-4-6-22(21)25-23/h3-12,18H,13-17H2,1-2H3
InChIKeyUVAMIAQIHYVSQW-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.32
Rot. Bonds4

About [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone

[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 9109587) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID9109587
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCC(C)c1ccc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-18(2)20-9-7-19(8-10-20)17-26-13-15-27(16-14-26)24(28)23-12-11-21-5-3-4-6-22(21)25-23/h3-12,18H,13-17H2,1-2H3
InChIKeyUVAMIAQIHYVSQW-UHFFFAOYSA-N
XLogP4.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204
quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 23045035
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 9109783
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
1-[4-[[4-methoxy-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 28733648
2-butyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 55360861
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044

Frequently Asked Questions

What is the IUPAC name of [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone (CID 9109587) is [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone is CC(C)c1ccc(CN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is UVAMIAQIHYVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18(2)20-9-7-19(8-10-20)17-26-13-15-27(16-14-26)24(28)23-12-11-21-5-3-4-6-22(21)25-23/h3-12,18H,13-17H2,1-2H3.
What are the key properties of [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone?
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 9109587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).