(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

C23H22N2O3 — CID 167796784

IUPAC(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESCOc1cc(C(=O)N2c3ccncc3CC2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-16-12-19-14-24-11-10-20(19)25(16)23(26)18-8-9-21(22(13-18)27-2)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyIFCNALWLFUYRQJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.26
Rot. Bonds5

About (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (PubChem CID 167796784) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
PubChem CID167796784
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESCOc1cc(C(=O)N2c3ccncc3CC2C)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-16-12-19-14-24-11-10-20(19)25(16)23(26)18-8-9-21(22(13-18)27-2)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyIFCNALWLFUYRQJ-UHFFFAOYSA-N
XLogP4.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone with MolForge

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate
CID 166232659
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (CID 167796784) is (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The canonical SMILES for (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is COc1cc(C(=O)N2c3ccncc3CC2C)ccc1OCc1ccccc1.
What is the InChIKey of (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The InChIKey is IFCNALWLFUYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-12-19-14-24-11-10-20(19)25(16)23(26)18-8-9-21(22(13-18)27-2)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3.
What are the key properties of (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is sourced from PubChem (CID 167796784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).