6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C17H22N2O — CID 3055742

IUPAC6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCN1CC=C(c2c[nH]c3cc(OC)ccc23)CC1
InChIInChI=1S/C17H22N2O/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-11-14(20-2)4-5-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyFZSRRLIPWFXXQH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds4

About 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 3055742) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID3055742
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCCCN1CC=C(c2c[nH]c3cc(OC)ccc23)CC1
InChIInChI=1S/C17H22N2O/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-11-14(20-2)4-5-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyFZSRRLIPWFXXQH-UHFFFAOYSA-N
XLogP3.68
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
5-methoxy-3-[1-[(1-propyltetrazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71940510
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3066252
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
CID 141312275
5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71925265
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
3-[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25197307
5-(3-butoxyphenyl)sulfanyl-3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 19710019
6-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941676
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 3055742) is 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CCCN1CC=C(c2c[nH]c3cc(OC)ccc23)CC1.
What is the InChIKey of 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is FZSRRLIPWFXXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-8-19-9-6-13(7-10-19)16-12-18-17-11-14(20-2)4-5-15(16)17/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 270.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 3055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).