7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one

C16H16N2O — CID 619846

IUPAC7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one
SMILESC=C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1=O
InChIInChI=1S/C16H16N2O/c1-9-6-12-11-4-3-5-13-15(11)10(8-17-13)7-14(12)18(2)16(9)19/h3-5,8,12,14,17H,1,6-7H2,2H3
InChIKeyGGYHKQLOIGTBLC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.59
Rot. Bonds

About 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one

7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one (PubChem CID 619846) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one.

Molecular Properties

Compound Name7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one
PubChem CID619846
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one
SMILESC=C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1=O
InChIInChI=1S/C16H16N2O/c1-9-6-12-11-4-3-5-13-15(11)10(8-17-13)7-14(12)18(2)16(9)19/h3-5,8,12,14,17H,1,6-7H2,2H3
InChIKeyGGYHKQLOIGTBLC-UHFFFAOYSA-N
XLogP2.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one with MolForge

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Related Compounds

(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
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
N-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 57023142
[(6aR,9R)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88808467
[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70622855
2-[(9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 10364519
(6aR,9R,10aR)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
CID 21154393
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
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 12917894
2-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-methoxyacetic acid
CID 57264883
(6aR,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57273509

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one?
The IUPAC name of 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one (CID 619846) is 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one.
What is the SMILES notation for 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one?
The canonical SMILES for 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one is C=C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1=O.
What is the InChIKey of 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one?
The InChIKey is GGYHKQLOIGTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-9-6-12-11-4-3-5-13-15(11)10(8-17-13)7-14(12)18(2)16(9)19/h3-5,8,12,14,17H,1,6-7H2,2H3.
What are the key properties of 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one?
7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one has a molecular weight of 252.32 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-methylidene-6,6a,10,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-8-one is sourced from PubChem (CID 619846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).