(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine

C20H22N4 — CID 22795685

IUPAC(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCN1C[C@@H](Nc2cccnc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H22N4/c1-24-12-15(23-14-4-3-7-21-11-14)9-17-16-5-2-6-18-20(16)13(10-22-18)8-19(17)24/h2-7,10-11,15,17,19,22-23H,8-9,12H2,1H3/t15-,17?,19+/m0/s1
InChIKeyYTFYAKJCTLIUKC-APROBQCTSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds2

About (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine

(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine (PubChem CID 22795685) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
PubChem CID22795685
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
SMILESCN1C[C@@H](Nc2cccnc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H22N4/c1-24-12-15(23-14-4-3-7-21-11-14)9-17-16-5-2-6-18-20(16)13(10-22-18)8-19(17)24/h2-7,10-11,15,17,19,22-23H,8-9,12H2,1H3/t15-,17?,19+/m0/s1
InChIKeyYTFYAKJCTLIUKC-APROBQCTSA-N
XLogP3.39
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine (CID 22795685) is (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine is CN1C[C@@H](Nc2cccnc2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
The InChIKey is YTFYAKJCTLIUKC-APROBQCTSA-N. The full InChI is InChI=1S/C20H22N4/c1-24-12-15(23-14-4-3-7-21-11-14)9-17-16-5-2-6-18-20(16)13(10-22-18)8-19(17)24/h2-7,10-11,15,17,19,22-23H,8-9,12H2,1H3/t15-,17?,19+/m0/s1.
What are the key properties of (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine?
(6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine has a molecular weight of 318.42 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S)-7-methyl-N-pyridin-3-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 22795685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).