(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H32N6 — CID 11517003

IUPAC(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H32N6/c1-3-28(21-9-4-7-19-8-6-12-25-24(19)21)17-20-18-30-22(26-20)10-5-11-23(30)29-15-13-27(2)14-16-29/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1
InChIKeyQDYGAGPVZXUDBW-NRFANRHFSA-N
MW404.56 g/mol
LogP3.38
Rot. Bonds5

About (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11517003) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11517003
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H32N6/c1-3-28(21-9-4-7-19-8-6-12-25-24(19)21)17-20-18-30-22(26-20)10-5-11-23(30)29-15-13-27(2)14-16-29/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1
InChIKeyQDYGAGPVZXUDBW-NRFANRHFSA-N
XLogP3.38
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11517003) is (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CCN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is QDYGAGPVZXUDBW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N6/c1-3-28(21-9-4-7-19-8-6-12-25-24(19)21)17-20-18-30-22(26-20)10-5-11-23(30)29-15-13-27(2)14-16-29/h5-6,8,10-12,18,21H,3-4,7,9,13-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-ethyl-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11517003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).