2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine

C16H20ClN3S — CID 141242879

IUPAC2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine
SMILESCN1CCc2c(c3cc(Cl)ccc3n2C2CNCCS2)C1
InChIInChI=1S/C16H20ClN3S/c1-19-6-4-15-13(10-19)12-8-11(17)2-3-14(12)20(15)16-9-18-5-7-21-16/h2-3,8,16,18H,4-7,9-10H2,1H3
InChIKeyVVVMDGHDDWUWMM-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.12
Rot. Bonds1

About 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine (PubChem CID 141242879) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine.

Molecular Properties

Compound Name2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine
PubChem CID141242879
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine
SMILESCN1CCc2c(c3cc(Cl)ccc3n2C2CNCCS2)C1
InChIInChI=1S/C16H20ClN3S/c1-19-6-4-15-13(10-19)12-8-11(17)2-3-14(12)20(15)16-9-18-5-7-21-16/h2-3,8,16,18H,4-7,9-10H2,1H3
InChIKeyVVVMDGHDDWUWMM-UHFFFAOYSA-N
XLogP3.12
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanenitrile
CID 68595185
8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 147941472
8-chloro-5-[(E)-2-cyclopropyl-2-(4-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455088
8-chloro-2-methyl-5-[(E)-2-thiophen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59454994
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1,1-diphenylethanol
CID 59455121
1-[4-[(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]phenyl]-2-hydroxyethanone
CID 157324410
2-[(E)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-1,3-thiazole
CID 59454900
8-chloro-2-methyl-5-(2-pyridin-3-ylcyclohexen-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59454965
8-chloro-5-[[2-(2-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 50943982
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one
CID 90887102
2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67378949
8-chloro-2-methyl-5-(2-pyridin-4-ylcyclohexyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-chloro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole;4-(cyclohexen-1-yl)pyridine;iodomethane
CID 162237286

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine?
The IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine (CID 141242879) is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine.
What is the SMILES notation for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine?
The canonical SMILES for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine is CN1CCc2c(c3cc(Cl)ccc3n2C2CNCCS2)C1.
What is the InChIKey of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine?
The InChIKey is VVVMDGHDDWUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-19-6-4-15-13(10-19)12-8-11(17)2-3-14(12)20(15)16-9-18-5-7-21-16/h2-3,8,16,18H,4-7,9-10H2,1H3.
What are the key properties of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine?
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine has a molecular weight of 321.88 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine is sourced from PubChem (CID 141242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).