(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline

C19H20F2N2 — CID 129362234

IUPAC(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCN3C)[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C19H20F2N2/c1-22-10-17(12-7-13(20)9-14(21)8-12)15-3-4-19-16(18(15)11-22)5-6-23(19)2/h3-4,7-9,17H,5-6,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWMKWOTNPFLAFPU-QGZVFWFLSA-N
MW314.38 g/mol
LogP3.53
Rot. Bonds1

About (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline

(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline (PubChem CID 129362234) has the molecular formula C19H20F2N2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
PubChem CID129362234
Molecular FormulaC19H20F2N2
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCN3C)[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C19H20F2N2/c1-22-10-17(12-7-13(20)9-14(21)8-12)15-3-4-19-16(18(15)11-22)5-6-23(19)2/h3-4,7-9,17H,5-6,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWMKWOTNPFLAFPU-QGZVFWFLSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The IUPAC name of (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline (CID 129362234) is (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline.
What is the SMILES notation for (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The canonical SMILES for (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline is CN1Cc2c(ccc3c2CCN3C)[C@@H](c2cc(F)cc(F)c2)C1.
What is the InChIKey of (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
The InChIKey is WMKWOTNPFLAFPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F2N2/c1-22-10-17(12-7-13(20)9-14(21)8-12)15-3-4-19-16(18(15)11-22)5-6-23(19)2/h3-4,7-9,17H,5-6,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline?
(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline has a molecular weight of 314.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline is sourced from PubChem (CID 129362234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).