N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine

C22H28N6 — CID 138501511

IUPACN,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
SMILESCc1nc(CN(C)c2c(C)ccc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H28N6/c1-16-7-8-18-6-5-9-23-21(18)22(16)27(4)15-19-14-20(25-17(2)24-19)28-12-10-26(3)11-13-28/h5-9,14H,10-13,15H2,1-4H3
InChIKeyBDWDTDNSVGXJIM-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.03
Rot. Bonds4

About N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine

N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine (PubChem CID 138501511) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
PubChem CID138501511
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine
SMILESCc1nc(CN(C)c2c(C)ccc3cccnc23)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H28N6/c1-16-7-8-18-6-5-9-23-21(18)22(16)27(4)15-19-14-20(25-17(2)24-19)28-12-10-26(3)11-13-28/h5-9,14H,10-13,15H2,1-4H3
InChIKeyBDWDTDNSVGXJIM-UHFFFAOYSA-N
XLogP3.03
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine?
The IUPAC name of N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine (CID 138501511) is N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine.
What is the SMILES notation for N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine?
The canonical SMILES for N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine is Cc1nc(CN(C)c2c(C)ccc3cccnc23)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine?
The InChIKey is BDWDTDNSVGXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-16-7-8-18-6-5-9-23-21(18)22(16)27(4)15-19-14-20(25-17(2)24-19)28-12-10-26(3)11-13-28/h5-9,14H,10-13,15H2,1-4H3.
What are the key properties of N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine?
N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine has a molecular weight of 376.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine is sourced from PubChem (CID 138501511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).