[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone

C24H24N4O — CID 20925618

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)c(C)c1
InChIInChI=1S/C24H24N4O/c1-16-5-8-21(17(2)14-16)27-10-12-28(13-11-27)24(29)20-15-19-7-6-18-4-3-9-25-22(18)23(19)26-20/h3-9,14-15,26H,10-13H2,1-2H3
InChIKeyJTBBZBOBQCRFTE-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.30
Rot. Bonds2

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone (PubChem CID 20925618) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone
PubChem CID20925618
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)c(C)c1
InChIInChI=1S/C24H24N4O/c1-16-5-8-21(17(2)14-16)27-10-12-28(13-11-27)24(29)20-15-19-7-6-18-4-3-9-25-22(18)23(19)26-20/h3-9,14-15,26H,10-13H2,1-2H3
InChIKeyJTBBZBOBQCRFTE-UHFFFAOYSA-N
XLogP4.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920455
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
1H-indol-2-yl-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 174696608
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925636
[4-(4-methyl-3-pyridinyl)piperazin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 138023297
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone (CID 20925618) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone is Cc1ccc(N2CCN(C(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
The InChIKey is JTBBZBOBQCRFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-5-8-21(17(2)14-16)27-10-12-28(13-11-27)24(29)20-15-19-7-6-18-4-3-9-25-22(18)23(19)26-20/h3-9,14-15,26H,10-13H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone is sourced from PubChem (CID 20925618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).