2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol

C21H23N3O2 — CID 15749854

IUPAC2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
SMILESCOc1cccc2c3c(c(NCCO)nc12)CCN3c1ccccc1C
InChIInChI=1S/C21H23N3O2/c1-14-6-3-4-8-17(14)24-12-10-16-20(24)15-7-5-9-18(26-2)19(15)23-21(16)22-11-13-25/h3-9,25H,10-13H2,1-2H3,(H,22,23)
InChIKeyGFDDGXFKUNAXQE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds5

About 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol

2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol (PubChem CID 15749854) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
PubChem CID15749854
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
SMILESCOc1cccc2c3c(c(NCCO)nc12)CCN3c1ccccc1C
InChIInChI=1S/C21H23N3O2/c1-14-6-3-4-8-17(14)24-12-10-16-20(24)15-7-5-9-18(26-2)19(15)23-21(16)22-11-13-25/h3-9,25H,10-13H2,1-2H3,(H,22,23)
InChIKeyGFDDGXFKUNAXQE-UHFFFAOYSA-N
XLogP3.65
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol (CID 15749854) is 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol is COc1cccc2c3c(c(NCCO)nc12)CCN3c1ccccc1C.
What is the InChIKey of 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The InChIKey is GFDDGXFKUNAXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-6-3-4-8-17(14)24-12-10-16-20(24)15-7-5-9-18(26-2)19(15)23-21(16)22-11-13-25/h3-9,25H,10-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol has a molecular weight of 349.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methoxy-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol is sourced from PubChem (CID 15749854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).