2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline

C19H20ClN3 — CID 87285407

IUPAC2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)n(C)c2c(N3CCc4ccccc4C3)nc(Cl)cc12
InChIInChI=1S/C19H20ClN3/c1-12-13(2)22(3)18-16(12)10-17(20)21-19(18)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHEDDCQYHKUTHMW-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.41
Rot. Bonds1

About 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline

2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 87285407) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID87285407
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)n(C)c2c(N3CCc4ccccc4C3)nc(Cl)cc12
InChIInChI=1S/C19H20ClN3/c1-12-13(2)22(3)18-16(12)10-17(20)21-19(18)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10H,8-9,11H2,1-3H3
InChIKeyHEDDCQYHKUTHMW-UHFFFAOYSA-N
XLogP4.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 86615261
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
2-(5-fluoro-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141212
2-[1-[(4-fluorophenyl)methyl]-2,3-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141702
7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142551
1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142774
[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 67141066
[1-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] methyl carbonate
CID 67143448
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 91960739
[1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl] hydrogen carbonate
CID 67142776
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
1-benzyl-N-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142593

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline (CID 87285407) is 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline is Cc1c(C)n(C)c2c(N3CCc4ccccc4C3)nc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is HEDDCQYHKUTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-12-13(2)22(3)18-16(12)10-17(20)21-19(18)23-9-8-14-6-4-5-7-15(14)11-23/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline?
2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.84 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 87285407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).