methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate

C18H22N2O2 — CID 10063279

IUPACmethyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCCCN1CC=C(c2c[nH]c3ccc(C(=O)OC)cc23)CC1
InChIInChI=1S/C18H22N2O2/c1-3-8-20-9-6-13(7-10-20)16-12-19-17-5-4-14(11-15(16)17)18(21)22-2/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyKRCSBKFTKWJXOZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.45
Rot. Bonds4

About methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate

methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (PubChem CID 10063279) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
PubChem CID10063279
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Namemethyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate
SMILESCCCN1CC=C(c2c[nH]c3ccc(C(=O)OC)cc23)CC1
InChIInChI=1S/C18H22N2O2/c1-3-8-20-9-6-13(7-10-20)16-12-19-17-5-4-14(11-15(16)17)18(21)22-2/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyKRCSBKFTKWJXOZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate (CID 10063279) is methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is CCCN1CC=C(c2c[nH]c3ccc(C(=O)OC)cc23)CC1.
What is the InChIKey of methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
The InChIKey is KRCSBKFTKWJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-8-20-9-6-13(7-10-20)16-12-19-17-5-4-14(11-15(16)17)18(21)22-2/h4-6,11-12,19H,3,7-10H2,1-2H3.
What are the key properties of methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate?
methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylate is sourced from PubChem (CID 10063279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).