(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

C27H26N4O2 — CID 56680570

IUPAC(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESO=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1C=CCCC1
InChIInChI=1S/C27H26N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-5,7-12,14,16,19,24,28H,2,6,13,15,17H2,(H,29,33)/t19-,24-/m1/s1
InChIKeyHRNWSAWUOFZVFE-NTKDMRAZSA-N
MW438.53 g/mol
LogP4.78
Rot. Bonds2

About (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (PubChem CID 56680570) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
PubChem CID56680570
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
SMILESO=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1C=CCCC1
InChIInChI=1S/C27H26N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-5,7-12,14,16,19,24,28H,2,6,13,15,17H2,(H,29,33)/t19-,24-/m1/s1
InChIKeyHRNWSAWUOFZVFE-NTKDMRAZSA-N
XLogP4.78
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The IUPAC name of (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide (CID 56680570) is (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide.
What is the SMILES notation for (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The canonical SMILES for (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1C=CCCC1.
What is the InChIKey of (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
The InChIKey is HRNWSAWUOFZVFE-NTKDMRAZSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-5,7-12,14,16,19,24,28H,2,6,13,15,17H2,(H,29,33)/t19-,24-/m1/s1.
What are the key properties of (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide?
(6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-9-(3,4-dihydro-2H-pyridine-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide is sourced from PubChem (CID 56680570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).