N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide

C26H36N2O3 — CID 56990621

About N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide

N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide (PubChem CID 56990621) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide.

Molecular Properties

• Compound Name: N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide
• PubChem CID: 56990621
• Molecular Formula: C26H36N2O3
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.27
• IUPAC Name: N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide
• SMILES: CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(Oc3ccc(NC=O)cc3)CC[C@@H]12
• InChI: InChI=1S/C26H36N2O3/c1-25-15-13-24(30)28(3)22(25)10-8-19-20-9-11-23(26(20,2)14-12-21(19)25)31-18-6-4-17(5-7-18)27-16-29/h4-7,16,19-23H,8-15H2,1-3H3,(H,27,29)/t19-,20-,21+,22?,23?,25+,26-/m0/s1
• InChIKey: CMOFWXBJUWFZMZ-CABWGNLRSA-N
• XLogP: 4.87
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide?

The IUPAC name of N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide (CID 56990621) is N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide.

What is the SMILES notation for N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide?

The canonical SMILES for N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide is CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(Oc3ccc(NC=O)cc3)CC[C@@H]12.

What is the InChIKey of N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide?

The InChIKey is CMOFWXBJUWFZMZ-CABWGNLRSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-25-15-13-24(30)28(3)22(25)10-8-19-20-9-11-23(26(20,2)14-12-21(19)25)31-18-6-4-17(5-7-18)27-16-29/h4-7,16,19-23H,8-15H2,1-3H3,(H,27,29)/t19-,20-,21+,22?,23?,25+,26-/m0/s1.

What are the key properties of N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide?

N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide has a molecular weight of 424.59 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]phenyl]formamide is sourced from PubChem (CID 56990621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).