(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C23H32N4O2 — CID 3067387

IUPAC(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)NC(=O)N(C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C
InChIInChI=1S/C23H32N4O2/c1-13(2)25-23(29)27(14(3)4)22(28)16-9-18-17-7-6-8-19-21(17)15(11-24-19)10-20(18)26(5)12-16/h6-8,11,13-14,16,18,20,24H,9-10,12H2,1-5H3,(H,25,29)/t16-,18?,20-/m1/s1
InChIKeyIDZYIMDAPAFQJX-OPZSGVPXSA-N
MW396.54 g/mol
LogP3.48
Rot. Bonds3

About (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 3067387) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID3067387
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)NC(=O)N(C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C
InChIInChI=1S/C23H32N4O2/c1-13(2)25-23(29)27(14(3)4)22(28)16-9-18-17-7-6-8-19-21(17)15(11-24-19)10-20(18)26(5)12-16/h6-8,11,13-14,16,18,20,24H,9-10,12H2,1-5H3,(H,25,29)/t16-,18?,20-/m1/s1
InChIKeyIDZYIMDAPAFQJX-OPZSGVPXSA-N
XLogP3.48
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 3067387) is (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CC(C)NC(=O)N(C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1)C(C)C.
What is the InChIKey of (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is IDZYIMDAPAFQJX-OPZSGVPXSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-13(2)25-23(29)27(14(3)4)22(28)16-9-18-17-7-6-8-19-21(17)15(11-24-19)10-20(18)26(5)12-16/h6-8,11,13-14,16,18,20,24H,9-10,12H2,1-5H3,(H,25,29)/t16-,18?,20-/m1/s1.
What are the key properties of (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-methyl-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 3067387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).