N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine

C25H32N4 — CID 22998888

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine
SMILESCc1cccc(N2CCN(CCCNc3cc(C)c4ccccc4n3)CC2)c1C
InChIInChI=1S/C25H32N4/c1-19-8-6-11-24(21(19)3)29-16-14-28(15-17-29)13-7-12-26-25-18-20(2)22-9-4-5-10-23(22)27-25/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,26,27)
InChIKeyYHQIWPUVUPPXSU-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.78
Rot. Bonds6

About N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine (PubChem CID 22998888) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine
PubChem CID22998888
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine
SMILESCc1cccc(N2CCN(CCCNc3cc(C)c4ccccc4n3)CC2)c1C
InChIInChI=1S/C25H32N4/c1-19-8-6-11-24(21(19)3)29-16-14-28(15-17-29)13-7-12-26-25-18-20(2)22-9-4-5-10-23(22)27-25/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,26,27)
InChIKeyYHQIWPUVUPPXSU-UHFFFAOYSA-N
XLogP4.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]isoquinolin-1-amine;hydrobromide
CID 67631277
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
CID 162306694
4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 71653557
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112908138
methyl 4-[[2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]quinazolin-4-yl]amino]butanoate
CID 28958060
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide;dihydrochloride
CID 54576800
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]propan-1-amine
CID 68974455
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine (CID 22998888) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine is Cc1cccc(N2CCN(CCCNc3cc(C)c4ccccc4n3)CC2)c1C.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine?
The InChIKey is YHQIWPUVUPPXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-19-8-6-11-24(21(19)3)29-16-14-28(15-17-29)13-7-12-26-25-18-20(2)22-9-4-5-10-23(22)27-25/h4-6,8-11,18H,7,12-17H2,1-3H3,(H,26,27).
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine has a molecular weight of 388.56 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 22998888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).