4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C14H15ClN2 — CID 18797343

IUPAC4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1
InChIInChI=1S/C14H15ClN2/c1-17-7-5-10(6-8-17)11-9-16-13-4-2-3-12(15)14(11)13/h2-5,9,16H,6-8H2,1H3
InChIKeyDYIBRBCWTGBIRJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.54
Rot. Bonds1

About 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 18797343) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID18797343
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1
InChIInChI=1S/C14H15ClN2/c1-17-7-5-10(6-8-17)11-9-16-13-4-2-3-12(15)14(11)13/h2-5,9,16H,6-8H2,1H3
InChIKeyDYIBRBCWTGBIRJ-UHFFFAOYSA-N
XLogP3.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 18797400
3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 11531828
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
3-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 171834729
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
CID 23003762
3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-4-methoxy-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzene-1,3-diamine
CID 86677231
methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate
CID 15951273
2-[4-(4-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 42962426
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
CID 67923514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 18797343) is 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1.
What is the InChIKey of 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is DYIBRBCWTGBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-17-7-5-10(6-8-17)11-9-16-13-4-2-3-12(15)14(11)13/h2-5,9,16H,6-8H2,1H3.
What are the key properties of 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 246.74 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 18797343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).