(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C25H30N4O — CID 14653085

IUPAC(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCc3cccnc3)CN(C)[C@@H]1C2
InChIInChI=1S/C25H30N4O/c1-16(2)29-15-18-11-23-21(20-7-4-8-22(29)24(18)20)10-19(14-28(23)3)25(30)27-13-17-6-5-9-26-12-17/h4-9,12,15-16,19,21,23H,10-11,13-14H2,1-3H3,(H,27,30)/t19-,21-,23-/m1/s1
InChIKeyWYXWIIVISQZKRG-KJXAQDMKSA-N
MW402.54 g/mol
LogP3.89
Rot. Bonds4

About (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 14653085) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID14653085
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCc3cccnc3)CN(C)[C@@H]1C2
InChIInChI=1S/C25H30N4O/c1-16(2)29-15-18-11-23-21(20-7-4-8-22(29)24(18)20)10-19(14-28(23)3)25(30)27-13-17-6-5-9-26-12-17/h4-9,12,15-16,19,21,23H,10-11,13-14H2,1-3H3,(H,27,30)/t19-,21-,23-/m1/s1
InChIKeyWYXWIIVISQZKRG-KJXAQDMKSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
CID 70365367
(6aS,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67750439
3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 3034814
(6aR,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
CID 158935179
(6aR,9R)-4-(hydroxymethyl)-7-methyl-N-pyrazin-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 70417765
(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 57074368
(6aR,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 157253456
(6aR,9R)-4,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 56619314
(6aR,9R,10aR)-N-[2-(1H-imidazol-5-yl)pentyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 70358552
N-benzyl-9-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
CID 75616011
3-hydroxybutan-2-yl (6aR,9R)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 23844126
3-hydroxybutan-2-yl (9R)-7-methyl-4-(2-methylpropyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 10318693

Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 14653085) is (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NCc3cccnc3)CN(C)[C@@H]1C2.
What is the InChIKey of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is WYXWIIVISQZKRG-KJXAQDMKSA-N. The full InChI is InChI=1S/C25H30N4O/c1-16(2)29-15-18-11-23-21(20-7-4-8-22(29)24(18)20)10-19(14-28(23)3)25(30)27-13-17-6-5-9-26-12-17/h4-9,12,15-16,19,21,23H,10-11,13-14H2,1-3H3,(H,27,30)/t19-,21-,23-/m1/s1.
What are the key properties of (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 14653085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).