[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea

C17H20N4O — CID 70390159

IUPAC[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
SMILESCN1C[C@@H](CNC(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H20N4O/c1-21-9-10(7-20-17(18)22)5-13-12-3-2-4-14-16(12)11(8-19-14)6-15(13)21/h2-5,8,10,15,19H,6-7,9H2,1H3,(H3,18,20,22)/t10-,15-/m1/s1
InChIKeyNCNRJZCHSQZVCO-MEBBXXQBSA-N
MW296.37 g/mol
LogP1.71
Rot. Bonds2

About [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea

[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea (PubChem CID 70390159) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea.

Molecular Properties

Compound Name[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
PubChem CID70390159
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
SMILESCN1C[C@@H](CNC(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C17H20N4O/c1-21-9-10(7-20-17(18)22)5-13-12-3-2-4-14-16(12)11(8-19-14)6-15(13)21/h2-5,8,10,15,19H,6-7,9H2,1H3,(H3,18,20,22)/t10-,15-/m1/s1
InChIKeyNCNRJZCHSQZVCO-MEBBXXQBSA-N
XLogP1.71
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea with MolForge

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Related Compounds

(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
2-[(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylacetamide
CID 159746240
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
1-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-3-ethylurea
CID 118989318
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
2-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-cyclopropyl-N-methylacetamide
CID 154480744
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
(6aR,9R)-7-methyl-9-(phenylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 14107774
N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981

Frequently Asked Questions

What is the IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea?
The IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea (CID 70390159) is [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea.
What is the SMILES notation for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea?
The canonical SMILES for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea is CN1C[C@@H](CNC(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea?
The InChIKey is NCNRJZCHSQZVCO-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21-9-10(7-20-17(18)22)5-13-12-3-2-4-14-16(12)11(8-19-14)6-15(13)21/h2-5,8,10,15,19H,6-7,9H2,1H3,(H3,18,20,22)/t10-,15-/m1/s1.
What are the key properties of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea?
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea has a molecular weight of 296.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea is sourced from PubChem (CID 70390159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).