1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol

C22H26N2O2S — CID 56856883

IUPAC1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc2cc(CNCC3(O)CCCCC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H26N2O2S/c1-26-19-6-5-16-11-18(13-23-15-22(25)8-3-2-4-9-22)21(24-20(16)12-19)17-7-10-27-14-17/h5-7,10-12,14,23,25H,2-4,8-9,13,15H2,1H3
InChIKeyFUGUVWOHCXLFNK-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.76
Rot. Bonds6

About 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 56856883) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID56856883
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc2cc(CNCC3(O)CCCCC3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H26N2O2S/c1-26-19-6-5-16-11-18(13-23-15-22(25)8-3-2-4-9-22)21(24-20(16)12-19)17-7-10-27-14-17/h5-7,10-12,14,23,25H,2-4,8-9,13,15H2,1H3
InChIKeyFUGUVWOHCXLFNK-UHFFFAOYSA-N
XLogP4.76
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
CID 89248377
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 111974624
7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
CID 59804087
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881

Frequently Asked Questions

What is the IUPAC name of 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 56856883) is 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol is COc1ccc2cc(CNCC3(O)CCCCC3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is FUGUVWOHCXLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-26-19-6-5-16-11-18(13-23-15-22(25)8-3-2-4-9-22)21(24-20(16)12-19)17-7-10-27-14-17/h5-7,10-12,14,23,25H,2-4,8-9,13,15H2,1H3.
What are the key properties of 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 382.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56856883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).