2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide

C26H34ClN3O2 — CID 59728846

IUPAC2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)C[C@H]2CCC3C4CC(Cl)=C5NC(=O)CC[C@]5(C)C4CC[C@@]32C)n1
InChIInChI=1S/C26H34ClN3O2/c1-15-5-4-6-21(28-15)29-23(32)13-16-7-8-18-17-14-20(27)24-26(3,12-10-22(31)30-24)19(17)9-11-25(16,18)2/h4-6,16-19H,7-14H2,1-3H3,(H,30,31)(H,28,29,32)/t16-,17?,18?,19?,25-,26-/m1/s1
InChIKeyLMKUURGDQZSLHE-YFIANPBHSA-N
MW456.03 g/mol
LogP5.55
Rot. Bonds3

About 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide

2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 59728846) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID59728846
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC Name2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)C[C@H]2CCC3C4CC(Cl)=C5NC(=O)CC[C@]5(C)C4CC[C@@]32C)n1
InChIInChI=1S/C26H34ClN3O2/c1-15-5-4-6-21(28-15)29-23(32)13-16-7-8-18-17-14-20(27)24-26(3,12-10-22(31)30-24)19(17)9-11-25(16,18)2/h4-6,16-19H,7-14H2,1-3H3,(H,30,31)(H,28,29,32)/t16-,17?,18?,19?,25-,26-/m1/s1
InChIKeyLMKUURGDQZSLHE-YFIANPBHSA-N
XLogP5.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide (CID 59728846) is 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)C[C@H]2CCC3C4CC(Cl)=C5NC(=O)CC[C@]5(C)C4CC[C@@]32C)n1.
What is the InChIKey of 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is LMKUURGDQZSLHE-YFIANPBHSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c1-15-5-4-6-21(28-15)29-23(32)13-16-7-8-18-17-14-20(27)24-26(3,12-10-22(31)30-24)19(17)9-11-25(16,18)2/h4-6,16-19H,7-14H2,1-3H3,(H,30,31)(H,28,29,32)/t16-,17?,18?,19?,25-,26-/m1/s1.
What are the key properties of 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 456.03 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9aR,11aR)-5-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 59728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).