1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

C22H25NO2 — CID 134425589

IUPAC1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone
SMILESC=C1C=C2c3cc(OC)c(C)cc3CC(C3(C)CC3)N2C=C1C(C)=O
InChIInChI=1S/C22H25NO2/c1-13-9-19-17-11-20(25-5)14(2)8-16(17)10-21(22(4)6-7-22)23(19)12-18(13)15(3)24/h8-9,11-12,21H,1,6-7,10H2,2-5H3
InChIKeyGLUIGKXMVJHHCR-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.41
Rot. Bonds3

About 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone (PubChem CID 134425589) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone
PubChem CID134425589
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone
SMILESC=C1C=C2c3cc(OC)c(C)cc3CC(C3(C)CC3)N2C=C1C(C)=O
InChIInChI=1S/C22H25NO2/c1-13-9-19-17-11-20(25-5)14(2)8-16(17)10-21(22(4)6-7-22)23(19)12-18(13)15(3)24/h8-9,11-12,21H,1,6-7,10H2,2-5H3
InChIKeyGLUIGKXMVJHHCR-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone with MolForge

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Related Compounds

ethyl 6-tert-butyl-9-(1,1-difluoropropoxy)-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 134425769
(6R)-6-tert-butyl-10-methoxy-9-(3-methoxypropoxy)-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134425399
4-[3-(1-hydroxyethenyl)-9,10-dimethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-6-yl]phenol
CID 145135798
(1E,3E)-4-(6-tert-butyl-10-methoxy-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-1-N'-prop-1-en-2-ylhexa-1,3,5-triene-1,1-diamine
CID 135228913
tert-butyl (1S,9R)-4-methoxy-1,5,13,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carboxylate
CID 58123547
(6R)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;(6S)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 161380551
ethyl 10-methoxy-9-(2-methoxyethoxy)-6-(1-methylcyclopropyl)-2-oxo-1,6,7,11b-tetrahydrobenzo[a]quinolizine-3-carboxylate
CID 118252101
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide
CID 130366612
10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 122457183
2-(6-tert-butyl-10-methyl-2-methylidene-9-propyl-6,7-dihydrobenzo[a]quinolizin-3-yl)prop-2-enenitrile
CID 134425833
(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
CID 162895840

Frequently Asked Questions

What is the IUPAC name of 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone?
The IUPAC name of 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone (CID 134425589) is 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone.
What is the SMILES notation for 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone?
The canonical SMILES for 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone is C=C1C=C2c3cc(OC)c(C)cc3CC(C3(C)CC3)N2C=C1C(C)=O.
What is the InChIKey of 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone?
The InChIKey is GLUIGKXMVJHHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-13-9-19-17-11-20(25-5)14(2)8-16(17)10-21(22(4)6-7-22)23(19)12-18(13)15(3)24/h8-9,11-12,21H,1,6-7,10H2,2-5H3.
What are the key properties of 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone?
1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-methoxy-9-methyl-6-(1-methylcyclopropyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone is sourced from PubChem (CID 134425589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).