9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one

C16H18N2O — CID 10332547

IUPAC9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)CN1CCCCC31
InChIInChI=1S/C16H18N2O/c1-10-5-6-12-11(8-10)15-14(19)9-18-7-3-2-4-13(18)16(15)17-12/h5-6,8,13,17H,2-4,7,9H2,1H3
InChIKeyPSWDYYQHEWLHGF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.20
Rot. Bonds

About 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one

9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one (PubChem CID 10332547) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one
PubChem CID10332547
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)CN1CCCCC31
InChIInChI=1S/C16H18N2O/c1-10-5-6-12-11(8-10)15-14(19)9-18-7-3-2-4-13(18)16(15)17-12/h5-6,8,13,17H,2-4,7,9H2,1H3
InChIKeyPSWDYYQHEWLHGF-UHFFFAOYSA-N
XLogP3.20
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one with MolForge

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Related Compounds

6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 97137726
(1S)-7-methyl-3,12-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 124581684
2,7-dimethyl-10H-acridin-9-one
CID 13293445
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462487
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
ethane;6-methyl-4-morpholin-4-yl-1H-quinolin-2-one
CID 145235325
3-(azepan-1-ylmethyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54676438
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
3,6-dimethyl-9H-carbazole
CID 144942624

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one?
The IUPAC name of 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one (CID 10332547) is 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one.
What is the SMILES notation for 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one?
The canonical SMILES for 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one is Cc1ccc2[nH]c3c(c2c1)C(=O)CN1CCCCC31.
What is the InChIKey of 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one?
The InChIKey is PSWDYYQHEWLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-5-6-12-11(8-10)15-14(19)9-18-7-3-2-4-13(18)16(15)17-12/h5-6,8,13,17H,2-4,7,9H2,1H3.
What are the key properties of 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one?
9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one has a molecular weight of 254.33 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one is sourced from PubChem (CID 10332547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).