2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline

C19H21FN2O — CID 120855599

IUPAC2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1F)CN(Cc1cccc3c1NCC3)CC2
InChIInChI=1S/C19H21FN2O/c1-23-18-10-14-6-8-22(12-16(14)9-17(18)20)11-15-4-2-3-13-5-7-21-19(13)15/h2-4,9-10,21H,5-8,11-12H2,1H3
InChIKeyUDJHSOOZMHOZHC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.36
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline

2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 120855599) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID120855599
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1F)CN(Cc1cccc3c1NCC3)CC2
InChIInChI=1S/C19H21FN2O/c1-23-18-10-14-6-8-22(12-16(14)9-17(18)20)11-15-4-2-3-13-5-7-21-19(13)15/h2-4,9-10,21H,5-8,11-12H2,1H3
InChIKeyUDJHSOOZMHOZHC-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 167862713
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120849480
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride
CID 120857722
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 120855599) is 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1F)CN(Cc1cccc3c1NCC3)CC2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is UDJHSOOZMHOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-23-18-10-14-6-8-22(12-16(14)9-17(18)20)11-15-4-2-3-13-5-7-21-19(13)15/h2-4,9-10,21H,5-8,11-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline?
2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 312.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 120855599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).