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

C24H32N6 — CID 11675794

IUPAC(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN(Cc1nc2c(N3CCN(C)CC3)cccc2[nH]1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H32N6/c1-3-29(20-10-4-7-18-8-6-12-25-23(18)20)17-22-26-19-9-5-11-21(24(19)27-22)30-15-13-28(2)14-16-30/h5-6,8-9,11-12,20H,3-4,7,10,13-17H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyVQKSJFFHUQOXEV-FQEVSTJZSA-N
MW404.56 g/mol
LogP3.61
Rot. Bonds5

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

(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11675794) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11675794
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCN(Cc1nc2c(N3CCN(C)CC3)cccc2[nH]1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C24H32N6/c1-3-29(20-10-4-7-18-8-6-12-25-23(18)20)17-22-26-19-9-5-11-21(24(19)27-22)30-15-13-28(2)14-16-30/h5-6,8-9,11-12,20H,3-4,7,10,13-17H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyVQKSJFFHUQOXEV-FQEVSTJZSA-N
XLogP3.61
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11675794) is (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CCN(Cc1nc2c(N3CCN(C)CC3)cccc2[nH]1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is VQKSJFFHUQOXEV-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N6/c1-3-29(20-10-4-7-18-8-6-12-25-23(18)20)17-22-26-19-9-5-11-21(24(19)27-22)30-15-13-28(2)14-16-30/h5-6,8-9,11-12,20H,3-4,7,10,13-17H2,1-2H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11675794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).