(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride

C26H33ClN4O — CID 70365367

IUPAC(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCCc3ccccn3)CN(C)[C@@H]1C2.Cl
InChIInChI=1S/C26H32N4O.ClH/c1-17(2)30-16-18-14-24-22(21-8-6-9-23(30)25(18)21)13-19(15-29(24)3)26(31)28-12-10-20-7-4-5-11-27-20;/h4-9,11,16-17,19,22,24H,10,12-15H2,1-3H3,(H,28,31);1H/t19-,22-,24-;/m1./s1
InChIKeyNXGMPNHEVRJCGK-VWHBXFRASA-N
MW453.03 g/mol
LogP4.36
Rot. Bonds5

About (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride

(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride (PubChem CID 70365367) has the molecular formula C26H33ClN4O and a molecular weight of 453.03 g/mol. Its IUPAC name is (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride.

Molecular Properties

Compound Name(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
PubChem CID70365367
Molecular FormulaC26H33ClN4O
Molecular Weight453.03 g/mol
Exact Mass452.23
IUPAC Name(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCCc3ccccn3)CN(C)[C@@H]1C2.Cl
InChIInChI=1S/C26H32N4O.ClH/c1-17(2)30-16-18-14-24-22(21-8-6-9-23(30)25(18)21)13-19(15-29(24)3)26(31)28-12-10-20-7-4-5-11-27-20;/h4-9,11,16-17,19,22,24H,10,12-15H2,1-3H3,(H,28,31);1H/t19-,22-,24-;/m1./s1
InChIKeyNXGMPNHEVRJCGK-VWHBXFRASA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride?
The IUPAC name of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride (CID 70365367) is (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride.
What is the SMILES notation for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride?
The canonical SMILES for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride is CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCCc3ccccn3)CN(C)[C@@H]1C2.Cl.
What is the InChIKey of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride?
The InChIKey is NXGMPNHEVRJCGK-VWHBXFRASA-N. The full InChI is InChI=1S/C26H32N4O.ClH/c1-17(2)30-16-18-14-24-22(21-8-6-9-23(30)25(18)21)13-19(15-29(24)3)26(31)28-12-10-20-7-4-5-11-27-20;/h4-9,11,16-17,19,22,24H,10,12-15H2,1-3H3,(H,28,31);1H/t19-,22-,24-;/m1./s1.
What are the key properties of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride?
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride has a molecular weight of 453.03 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride is sourced from PubChem (CID 70365367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).