trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine

C34H42N6O2 — CID 118548103

IUPACtrans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1cccc2c(N3CCCC3)cc(N[C@H]3CCCC[C@@H]3Nc3cc(N4CCCC4)c4cccc(OC)c4n3)nc12
InChIInChI=1S/C34H42N6O2/c1-41-29-15-9-11-23-27(39-17-5-6-18-39)21-31(37-33(23)29)35-25-13-3-4-14-26(25)36-32-22-28(40-19-7-8-20-40)24-12-10-16-30(42-2)34(24)38-32/h9-12,15-16,21-22,25-26H,3-8,13-14,17-20H2,1-2H3,(H,35,37)(H,36,38)/t25-,26-/m0/s1
InChIKeyHOPPLCYHKIRKRK-UIOOFZCWSA-N
MW566.75 g/mol
LogP6.84
Rot. Bonds8

About trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine (PubChem CID 118548103) has the molecular formula C34H42N6O2 and a molecular weight of 566.75 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
PubChem CID118548103
Molecular FormulaC34H42N6O2
Molecular Weight566.75 g/mol
Exact Mass566.34
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1cccc2c(N3CCCC3)cc(N[C@H]3CCCC[C@@H]3Nc3cc(N4CCCC4)c4cccc(OC)c4n3)nc12
InChIInChI=1S/C34H42N6O2/c1-41-29-15-9-11-23-27(39-17-5-6-18-39)21-31(37-33(23)29)35-25-13-3-4-14-26(25)36-32-22-28(40-19-7-8-20-40)24-12-10-16-30(42-2)34(24)38-32/h9-12,15-16,21-22,25-26H,3-8,13-14,17-20H2,1-2H3,(H,35,37)(H,36,38)/t25-,26-/m0/s1
InChIKeyHOPPLCYHKIRKRK-UIOOFZCWSA-N
XLogP6.84
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
CID 144970638
cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 159522767
8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388481
5-[4-(8-methoxy-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368334
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-8-methoxy-2-methylquinoline
CID 133368592
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-8-methoxy-2-methylquinoline
CID 133388588
1-(8-methoxy-2-methylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453800
4-[1-(8-methoxy-2-methylquinolin-4-yl)pyrrolidin-3-yl]morpholine
CID 133368215
1-(4-ethylpiperazin-1-yl)-2-[1-(8-methoxy-2-methylquinolin-4-yl)piperidin-4-yl]ethanone
CID 133388704
N-cyclohexyl-4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbothioamide
CID 108783044
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine (CID 118548103) is trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine is COc1cccc2c(N3CCCC3)cc(N[C@H]3CCCC[C@@H]3Nc3cc(N4CCCC4)c4cccc(OC)c4n3)nc12.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is HOPPLCYHKIRKRK-UIOOFZCWSA-N. The full InChI is InChI=1S/C34H42N6O2/c1-41-29-15-9-11-23-27(39-17-5-6-18-39)21-31(37-33(23)29)35-25-13-3-4-14-26(25)36-32-22-28(40-19-7-8-20-40)24-12-10-16-30(42-2)34(24)38-32/h9-12,15-16,21-22,25-26H,3-8,13-14,17-20H2,1-2H3,(H,35,37)(H,36,38)/t25-,26-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 566.75 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 118548103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).