[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone

C25H25ClN4O3 — CID 10233712

IUPAC[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone
SMILESCN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ncccc43)cc2c1
InChIInChI=1S/C25H25ClN4O3/c1-29(2)8-9-33-17-5-6-19-15(10-17)11-20(28-19)25(32)30-14-16(13-26)23-18-4-3-7-27-24(18)22(31)12-21(23)30/h3-7,10-12,16,28,31H,8-9,13-14H2,1-2H3
InChIKeyDAHJJTVBLCJXEM-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.34
Rot. Bonds6

About [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone

[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone (PubChem CID 10233712) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone
PubChem CID10233712
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone
SMILESCN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ncccc43)cc2c1
InChIInChI=1S/C25H25ClN4O3/c1-29(2)8-9-33-17-5-6-19-15(10-17)11-20(28-19)25(32)30-14-16(13-26)23-18-4-3-7-27-24(18)22(31)12-21(23)30/h3-7,10-12,16,28,31H,8-9,13-14H2,1-2H3
InChIKeyDAHJJTVBLCJXEM-UHFFFAOYSA-N
XLogP4.34
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone?
The IUPAC name of [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone (CID 10233712) is [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone is CN(C)CCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ncccc43)cc2c1.
What is the InChIKey of [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone?
The InChIKey is DAHJJTVBLCJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-29(2)8-9-33-17-5-6-19-15(10-17)11-20(28-19)25(32)30-14-16(13-26)23-18-4-3-7-27-24(18)22(31)12-21(23)30/h3-7,10-12,16,28,31H,8-9,13-14H2,1-2H3.
What are the key properties of [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone?
[1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone has a molecular weight of 464.95 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 10233712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).