N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

C20H23N3O — CID 11659781

IUPACN,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C20H23N3O/c1-23(2)20(24)14-8-9-17-16(12-14)19-15(10-11-21-19)18(22-17)13-6-4-3-5-7-13/h3-9,12,15,18-19,21-22H,10-11H2,1-2H3
InChIKeyGRHCAVRHIJKUAK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.21
Rot. Bonds2

About N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide

N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (PubChem CID 11659781) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
PubChem CID11659781
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2
InChIInChI=1S/C20H23N3O/c1-23(2)20(24)14-8-9-17-16(12-14)19-15(10-11-21-19)18(22-17)13-6-4-3-5-7-13/h3-9,12,15,18-19,21-22H,10-11H2,1-2H3
InChIKeyGRHCAVRHIJKUAK-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The IUPAC name of N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide (CID 11659781) is N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The canonical SMILES for N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is CN(C)C(=O)c1ccc2c(c1)C1NCCC1C(c1ccccc1)N2.
What is the InChIKey of N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
The InChIKey is GRHCAVRHIJKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23(2)20(24)14-8-9-17-16(12-14)19-15(10-11-21-19)18(22-17)13-6-4-3-5-7-13/h3-9,12,15,18-19,21-22H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide?
N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxamide is sourced from PubChem (CID 11659781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).