(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride

C15H22ClN3O — CID 155864049

IUPAC(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)N1C[C@@H]2CNc3ccccc3[C@H]2C1.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-10(2)17-15(19)18-8-11-7-16-14-6-4-3-5-12(14)13(11)9-18;/h3-6,10-11,13,16H,7-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1
InChIKeyXYGZXQRVIVLCCA-JZKFLRDJSA-N
MW295.81 g/mol
LogP2.67
Rot. Bonds1

About (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride

(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride (PubChem CID 155864049) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride
PubChem CID155864049
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)N1C[C@@H]2CNc3ccccc3[C@H]2C1.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-10(2)17-15(19)18-8-11-7-16-14-6-4-3-5-12(14)13(11)9-18;/h3-6,10-11,13,16H,7-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1
InChIKeyXYGZXQRVIVLCCA-JZKFLRDJSA-N
XLogP2.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride?
The IUPAC name of (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride (CID 155864049) is (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride.
What is the SMILES notation for (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride?
The canonical SMILES for (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride is CC(C)NC(=O)N1C[C@@H]2CNc3ccccc3[C@H]2C1.Cl.
What is the InChIKey of (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride?
The InChIKey is XYGZXQRVIVLCCA-JZKFLRDJSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-10(2)17-15(19)18-8-11-7-16-14-6-4-3-5-12(14)13(11)9-18;/h3-6,10-11,13,16H,7-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1.
What are the key properties of (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride?
(3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-N-propan-2-yl-1,3,3a,4,5,9b-hexahydropyrrolo[3,4-c]quinoline-2-carboxamide;hydrochloride is sourced from PubChem (CID 155864049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).