2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline

C19H20FN3 — CID 68998549

IUPAC2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2cc(F)ccc2C(c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C19H20FN3/c1-3-23-11-15-9-16(20)5-6-17(15)18(12-23)13-4-7-19-14(8-13)10-21-22(19)2/h4-10,18H,3,11-12H2,1-2H3
InChIKeyBPXIZWIOKLQKCN-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.68
Rot. Bonds2

About 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline

2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 68998549) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID68998549
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2cc(F)ccc2C(c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C19H20FN3/c1-3-23-11-15-9-16(20)5-6-17(15)18(12-23)13-4-7-19-14(8-13)10-21-22(19)2/h4-10,18H,3,11-12H2,1-2H3
InChIKeyBPXIZWIOKLQKCN-UHFFFAOYSA-N
XLogP3.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nerispirdine
CID 3081185
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780
Nerispirdine hydrochloride
CID 9818503
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
3-(4-Fluorophenyl)-5-methyl-1-(1-methylpiperazin-4-yl)-1H-indole
CID 10245637
3-(4-Fluoro-phenyl)-5-methyl-1-(1-methyl-piperidin-4-yl)-1H-indole
CID 10426286

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline (CID 68998549) is 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline is CCN1Cc2cc(F)ccc2C(c2ccc3c(cnn3C)c2)C1.
What is the InChIKey of 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BPXIZWIOKLQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-3-23-11-15-9-16(20)5-6-17(15)18(12-23)13-4-7-19-14(8-13)10-21-22(19)2/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68998549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).