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

C30H36N6O — CID 11591360

IUPAC(8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccccc1CN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C30H36N6O/c1-33-16-18-34(19-17-33)29-14-6-13-28-32-25(22-36(28)29)21-35(20-24-8-3-4-12-27(24)37-2)26-11-5-9-23-10-7-15-31-30(23)26/h3-4,6-8,10,12-15,22,26H,5,9,11,16-21H2,1-2H3/t26-/m0/s1
InChIKeyFAFYHBSFPVJQDP-SANMLTNESA-N
MW496.66 g/mol
LogP4.57
Rot. Bonds7

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

(8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11591360) has the molecular formula C30H36N6O and a molecular weight of 496.66 g/mol. Its IUPAC name is (8S)-N-[(2-methoxyphenyl)methyl]-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-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11591360
Molecular FormulaC30H36N6O
Molecular Weight496.66 g/mol
Exact Mass496.30
IUPAC Name(8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccccc1CN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C30H36N6O/c1-33-16-18-34(19-17-33)29-14-6-13-28-32-25(22-36(28)29)21-35(20-24-8-3-4-12-27(24)37-2)26-11-5-9-23-10-7-15-31-30(23)26/h3-4,6-8,10,12-15,22,26H,5,9,11,16-21H2,1-2H3/t26-/m0/s1
InChIKeyFAFYHBSFPVJQDP-SANMLTNESA-N
XLogP4.57
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-N-[(2-methoxyphenyl)methyl]-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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Related Compounds

(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11627977
N-[[5-(1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545595
N-[[5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11509653
(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159098315
N-[[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276084
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143196391
N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276096
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-pyridin-2-ylmethanamine;5,6,7,8-tetrahydroquinoline
CID 143208914
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
(8S)-N-[[5-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250795
N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-c]pyrimidin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140943219

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(2-methoxyphenyl)methyl]-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-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11591360) is (8S)-N-[(2-methoxyphenyl)methyl]-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-[(2-methoxyphenyl)methyl]-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-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccccc1CN(Cc1cn2c(N3CCN(C)CC3)cccc2n1)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FAFYHBSFPVJQDP-SANMLTNESA-N. The full InChI is InChI=1S/C30H36N6O/c1-33-16-18-34(19-17-33)29-14-6-13-28-32-25(22-36(28)29)21-35(20-24-8-3-4-12-27(24)37-2)26-11-5-9-23-10-7-15-31-30(23)26/h3-4,6-8,10,12-15,22,26H,5,9,11,16-21H2,1-2H3/t26-/m0/s1.
What are the key properties of (8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[(2-methoxyphenyl)methyl]-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 496.66 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(2-methoxyphenyl)methyl]-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 11591360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).