2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine

C26H32N4 — CID 10179136

IUPAC2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccc2nc3c(c(Nc4ccc(N5CCN(C)CC5)cc4)c2c1)CC(C)CC3
InChIInChI=1S/C26H32N4/c1-18-4-10-24-22(16-18)26(23-17-19(2)5-11-25(23)28-24)27-20-6-8-21(9-7-20)30-14-12-29(3)13-15-30/h4,6-10,16,19H,5,11-15,17H2,1-3H3,(H,27,28)
InChIKeyQYNDZEYXHRVXBK-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.16
Rot. Bonds3

About 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine

2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10179136) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10179136
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC Name2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccc2nc3c(c(Nc4ccc(N5CCN(C)CC5)cc4)c2c1)CC(C)CC3
InChIInChI=1S/C26H32N4/c1-18-4-10-24-22(16-18)26(23-17-19(2)5-11-25(23)28-24)27-20-6-8-21(9-7-20)30-14-12-29(3)13-15-30/h4,6-10,16,19H,5,11-15,17H2,1-3H3,(H,27,28)
InChIKeyQYNDZEYXHRVXBK-UHFFFAOYSA-N
XLogP5.16
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954
2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 139663422
1,7-dimethyl-N-(4-methylphenyl)pyrazolo[4,3-b]quinolin-9-amine
CID 627434
4-N-(2,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112902457
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
N-cyclopropyl-8-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473014
N-ethyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63180941
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 10179136) is 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine is Cc1ccc2nc3c(c(Nc4ccc(N5CCN(C)CC5)cc4)c2c1)CC(C)CC3.
What is the InChIKey of 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is QYNDZEYXHRVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c1-18-4-10-24-22(16-18)26(23-17-19(2)5-11-25(23)28-24)27-20-6-8-21(9-7-20)30-14-12-29(3)13-15-30/h4,6-10,16,19H,5,11-15,17H2,1-3H3,(H,27,28).
What are the key properties of 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine?
2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 400.57 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10179136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).