4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline

C19H20ClFN2 — CID 10268438

IUPAC4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCN3C)C(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H20ClFN2/c1-22-10-15(12-3-5-17(20)18(21)9-12)13-4-6-19-14(16(13)11-22)7-8-23(19)2/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyZXAMXNYORKSSCA-UHFFFAOYSA-N
MW330.83 g/mol
LogP4.05
Rot. Bonds1

About 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline

4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline (PubChem CID 10268438) has the molecular formula C19H20ClFN2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
PubChem CID10268438
Molecular FormulaC19H20ClFN2
Molecular Weight330.83 g/mol
Exact Mass330.13
IUPAC Name4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCN3C)C(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H20ClFN2/c1-22-10-15(12-3-5-17(20)18(21)9-12)13-4-6-19-14(16(13)11-22)7-8-23(19)2/h3-6,9,15H,7-8,10-11H2,1-2H3
InChIKeyZXAMXNYORKSSCA-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline with MolForge

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Related Compounds

(5aS,6aR)-9-(4-chlorophenyl)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline
CID 90672162
(4aS,9bR)-8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 12135132
6-chloro-1'-methyl-1-[2-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
CID 12801618
6-Chloro-1-(2-fluorophenyl)-1'-methylspiro[indoline-3,4'-piperidine]
CID 12801621
6-Chloro-1'-cyano-1-(2-fluorophenyl)spiro[indoline-3,4'-piperidine]
CID 13154050
6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline
CID 13491598
1,8-Dimethyl-6-(fluorophenyl)-2,3,6,7,8,9-hexahydro-1H-pyrido[4,3-g]indole
CID 20250792
6-Chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038129
8-(2-chloro-6-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 22591904
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 58046534
4-(3-Chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole
CID 59465784
1'-[3-(4-Chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 67122542

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline (CID 10268438) is 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline is CN1Cc2c(ccc3c2CCN3C)C(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The InChIKey is ZXAMXNYORKSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2/c1-22-10-15(12-3-5-17(20)18(21)9-12)13-4-6-19-14(16(13)11-22)7-8-23(19)2/h3-6,9,15H,7-8,10-11H2,1-2H3.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline has a molecular weight of 330.83 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline is sourced from PubChem (CID 10268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).