1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one

C20H24N4O2 — CID 57098230

IUPAC1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCN1CC(Cn2cc(O)n(C)c2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H24N4O2/c1-22-9-12(10-24-11-18(25)23(2)20(24)26)6-15-14-4-3-5-16-19(14)13(8-21-16)7-17(15)22/h3-5,8,11-12,15,17,21,25H,6-7,9-10H2,1-2H3/t12?,15-,17-/m1/s1
InChIKeyHJKMNCZMPQCCDQ-VUOSCMKMSA-N
MW352.44 g/mol
LogP2.03
Rot. Bonds2

About 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one

1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one (PubChem CID 57098230) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one
PubChem CID57098230
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one
SMILESCN1CC(Cn2cc(O)n(C)c2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H24N4O2/c1-22-9-12(10-24-11-18(25)23(2)20(24)26)6-15-14-4-3-5-16-19(14)13(8-21-16)7-17(15)22/h3-5,8,11-12,15,17,21,25H,6-7,9-10H2,1-2H3/t12?,15-,17-/m1/s1
InChIKeyHJKMNCZMPQCCDQ-VUOSCMKMSA-N
XLogP2.03
TPSA66.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one with MolForge

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Related Compounds

3-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-5-hydroxy-1H-imidazol-2-one
CID 57299384
1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]pyrrole-2,5-diol
CID 57141057
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
4-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1-aminopiperazine-2,6-dione
CID 70418798
2-[(9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 10364519
N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
CID 57020678
5-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 10547422
methyl 2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetate
CID 12782970
(6aR,9R)-7-methyl-9-[(2-propan-2-ylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 3064760
4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-1-phenylpiperazine-2,6-dione
CID 10764993
(6aR,9R,10aR)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
CID 21154393
(6aR,9R,10aR)-7-methyl-9-(tetrazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 10040940

Frequently Asked Questions

What is the IUPAC name of 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one?
The IUPAC name of 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one (CID 57098230) is 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one.
What is the SMILES notation for 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one?
The canonical SMILES for 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one is CN1CC(Cn2cc(O)n(C)c2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one?
The InChIKey is HJKMNCZMPQCCDQ-VUOSCMKMSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-9-12(10-24-11-18(25)23(2)20(24)26)6-15-14-4-3-5-16-19(14)13(8-21-16)7-17(15)22/h3-5,8,11-12,15,17,21,25H,6-7,9-10H2,1-2H3/t12?,15-,17-/m1/s1.
What are the key properties of 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one?
1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-4-hydroxy-3-methylimidazol-2-one is sourced from PubChem (CID 57098230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).