(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C24H24N4 — CID 3088106

IUPAC(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](c2ccn(-c3ccccc3)n2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H24N4/c1-27-15-17(21-10-11-28(26-21)18-6-3-2-4-7-18)12-20-19-8-5-9-22-24(19)16(14-25-22)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3/t17-,20?,23-/m1/s1
InChIKeyQJOHKAINHDDQNF-LRRFZDQKSA-N
MW368.48 g/mol
LogP4.48
Rot. Bonds2

About (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 3088106) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID3088106
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](c2ccn(-c3ccccc3)n2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H24N4/c1-27-15-17(21-10-11-28(26-21)18-6-3-2-4-7-18)12-20-19-8-5-9-22-24(19)16(14-25-22)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3/t17-,20?,23-/m1/s1
InChIKeyQJOHKAINHDDQNF-LRRFZDQKSA-N
XLogP4.48
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 3088106) is (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CN1C[C@H](c2ccn(-c3ccccc3)n2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is QJOHKAINHDDQNF-LRRFZDQKSA-N. The full InChI is InChI=1S/C24H24N4/c1-27-15-17(21-10-11-28(26-21)18-6-3-2-4-7-18)12-20-19-8-5-9-22-24(19)16(14-25-22)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3/t17-,20?,23-/m1/s1.
What are the key properties of (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 368.48 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-7-methyl-9-(1-phenylpyrazol-3-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 3088106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).