2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide

C27H38N4O2 — CID 68873940

IUPAC2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC(=O)Nc4cccc(N)n4)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C27H38N4O2/c1-16-14-18-19-9-8-17(15-23(32)30-22-7-5-6-21(28)29-22)26(19,2)12-10-20(18)27(3)13-11-24(33)31(4)25(16)27/h5-7,17-20H,8-15H2,1-4H3,(H3,28,29,30,32)/t17-,18+,19+,20+,26-,27-/m1/s1
InChIKeyJKWISGZXUGPMFD-PGMUYDLZSA-N
MW450.63 g/mol
LogP4.99
Rot. Bonds3

About 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide

2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide (PubChem CID 68873940) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide
PubChem CID68873940
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC(=O)Nc4cccc(N)n4)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C27H38N4O2/c1-16-14-18-19-9-8-17(15-23(32)30-22-7-5-6-21(28)29-22)26(19,2)12-10-20(18)27(3)13-11-24(33)31(4)25(16)27/h5-7,17-20H,8-15H2,1-4H3,(H3,28,29,30,32)/t17-,18+,19+,20+,26-,27-/m1/s1
InChIKeyJKWISGZXUGPMFD-PGMUYDLZSA-N
XLogP4.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide?
The IUPAC name of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide (CID 68873940) is 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide is CC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC(=O)Nc4cccc(N)n4)CC[C@H]3[C@@H]2C1.
What is the InChIKey of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide?
The InChIKey is JKWISGZXUGPMFD-PGMUYDLZSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-16-14-18-19-9-8-17(15-23(32)30-22-7-5-6-21(28)29-22)26(19,2)12-10-20(18)27(3)13-11-24(33)31(4)25(16)27/h5-7,17-20H,8-15H2,1-4H3,(H3,28,29,30,32)/t17-,18+,19+,20+,26-,27-/m1/s1.
What are the key properties of 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide?
2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide has a molecular weight of 450.63 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3aS,3bS,9aR,9bS,11aR)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-amino-2-pyridinyl)acetamide is sourced from PubChem (CID 68873940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).