(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline

C23H40N2 — CID 12807586

IUPAC(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline
SMILESC[C@@]12CC[C@@H](N3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)NCCC[C@@H]12
InChIInChI=1S/C23H40N2/c1-22-11-9-18(25-14-3-4-15-25)16-17(22)7-8-19-20(22)10-12-23(2)21(19)6-5-13-24-23/h17-21,24H,3-16H2,1-2H3/t17-,18+,19+,20-,21-,22+,23-/m0/s1
InChIKeyFVWRAMRMXUUWNC-YACACONYSA-N
MW344.59 g/mol
LogP4.84
Rot. Bonds1

About (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline

(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline (PubChem CID 12807586) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline.

Molecular Properties

Compound Name(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline
PubChem CID12807586
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline
SMILESC[C@@]12CC[C@@H](N3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)NCCC[C@@H]12
InChIInChI=1S/C23H40N2/c1-22-11-9-18(25-14-3-4-15-25)16-17(22)7-8-19-20(22)10-12-23(2)21(19)6-5-13-24-23/h17-21,24H,3-16H2,1-2H3/t17-,18+,19+,20-,21-,22+,23-/m0/s1
InChIKeyFVWRAMRMXUUWNC-YACACONYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline with MolForge

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Related Compounds

(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
CID 12807583
(3aS,3bR,9aS,9bR,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1H-naphtho[2,1-e]indole
CID 57104097
(3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-16-morpholin-4-yl-3-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 71506476
1-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]piperidine
CID 99571233
[(3S,5S,8R,9S,10S,13S,14S,16E,17S)-16-[(4-fluorophenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 53360424
1-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 99574752
(3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-16-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 70522873
(3R,5S,8S,9S,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CID 125034518
(3S,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CID 99571206
(3R,5R,8S,9R,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11877123
(5S,8R,10R,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 90350243
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-2-amino-10,13-dimethyl-16-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;hydrochloride
CID 67897503

Frequently Asked Questions

What is the IUPAC name of (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline?
The IUPAC name of (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline (CID 12807586) is (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline.
What is the SMILES notation for (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline?
The canonical SMILES for (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline is C[C@@]12CC[C@@H](N3CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)NCCC[C@@H]12.
What is the InChIKey of (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline?
The InChIKey is FVWRAMRMXUUWNC-YACACONYSA-N. The full InChI is InChI=1S/C23H40N2/c1-22-11-9-18(25-14-3-4-15-25)16-17(22)7-8-19-20(22)10-12-23(2)21(19)6-5-13-24-23/h17-21,24H,3-16H2,1-2H3/t17-,18+,19+,20-,21-,22+,23-/m0/s1.
What are the key properties of (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline?
(4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline has a molecular weight of 344.59 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR,6aS,8R,10aR,10bS,12aS)-10a,12a-dimethyl-8-pyrrolidin-1-yl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinoline is sourced from PubChem (CID 12807586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).