1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one

C19H22N2O2 — CID 71994646

IUPAC1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(CCC(=O)N2CCc3cnccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-2-13-23-17-6-3-15(4-7-17)5-8-19(22)21-12-10-16-14-20-11-9-18(16)21/h3-4,6-7,9,11,14H,2,5,8,10,12-13H2,1H3
InChIKeyPSAJKNIKPJNTGP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds6

About 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one (PubChem CID 71994646) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one
PubChem CID71994646
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(CCC(=O)N2CCc3cnccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-2-13-23-17-6-3-15(4-7-17)5-8-19(22)21-12-10-16-14-20-11-9-18(16)21/h3-4,6-7,9,11,14H,2,5,8,10,12-13H2,1H3
InChIKeyPSAJKNIKPJNTGP-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
1-(1-oxo-1,4-thiazinan-4-yl)-3-(4-propoxyphenyl)propan-1-one
CID 71994883
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
bis(4-propoxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
CID 139087732
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
N-[2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 126768533
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(4-propoxyphenyl)propan-1-one
CID 124682725
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126787995

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one (CID 71994646) is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(CCC(=O)N2CCc3cnccc32)cc1.
What is the InChIKey of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one?
The InChIKey is PSAJKNIKPJNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-13-23-17-6-3-15(4-7-17)5-8-19(22)21-12-10-16-14-20-11-9-18(16)21/h3-4,6-7,9,11,14H,2,5,8,10,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one?
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one has a molecular weight of 310.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 71994646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).