3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one

C18H22N2O2 — CID 112535781

IUPAC3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3c(ccn3C)C2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-11-9-15-13-20(12-10-17(15)19)18(21)8-5-14-3-6-16(22-2)7-4-14/h3-4,6-7,9,11H,5,8,10,12-13H2,1-2H3
InChIKeyPNRYWBXYNVVMCH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.55
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one

3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 112535781) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID112535781
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3c(ccn3C)C2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-11-9-15-13-20(12-10-17(15)19)18(21)8-5-14-3-6-16(22-2)7-4-14/h3-4,6-7,9,11H,5,8,10,12-13H2,1-2H3
InChIKeyPNRYWBXYNVVMCH-UHFFFAOYSA-N
XLogP2.55
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one (CID 112535781) is 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one is COc1ccc(CCC(=O)N2CCc3c(ccn3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is PNRYWBXYNVVMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-11-9-15-13-20(12-10-17(15)19)18(21)8-5-14-3-6-16(22-2)7-4-14/h3-4,6-7,9,11H,5,8,10,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 112535781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).