(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline

C20H24N2 — CID 153287567

IUPAC(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
SMILESCc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1
InChIInChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-13-20(3)18(10-11-21-20)17-12-15(2)6-9-19(17)22/h4-9,12,18,21H,10-11,13H2,1-3H3/t18-,20+/m0/s1
InChIKeyQXRFTZSLKJIIFB-AZUAARDMSA-N
MW292.43 g/mol
LogP4.29
Rot. Bonds1

About (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline

(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline (PubChem CID 153287567) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
PubChem CID153287567
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
SMILESCc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1
InChIInChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-13-20(3)18(10-11-21-20)17-12-15(2)6-9-19(17)22/h4-9,12,18,21H,10-11,13H2,1-3H3/t18-,20+/m0/s1
InChIKeyQXRFTZSLKJIIFB-AZUAARDMSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The IUPAC name of (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline (CID 153287567) is (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline is Cc1ccc(N2C[C@@]3(C)NCC[C@H]3c3cc(C)ccc32)cc1.
What is the InChIKey of (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
The InChIKey is QXRFTZSLKJIIFB-AZUAARDMSA-N. The full InChI is InChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-13-20(3)18(10-11-21-20)17-12-15(2)6-9-19(17)22/h4-9,12,18,21H,10-11,13H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline?
(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline has a molecular weight of 292.43 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 153287567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).