methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate

C20H16FNO3 — CID 135068236

IUPACmethyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)c2cc3ccccc3n2C1=O
InChIInChI=1S/C20H16FNO3/c1-25-20(24)16-11-15(12-6-8-14(21)9-7-12)18-10-13-4-2-3-5-17(13)22(18)19(16)23/h2-10,15-16H,11H2,1H3
InChIKeyQKUACROCXWAZRJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.75
Rot. Bonds2

About methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate

methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate (PubChem CID 135068236) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate
PubChem CID135068236
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Namemethyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)c2cc3ccccc3n2C1=O
InChIInChI=1S/C20H16FNO3/c1-25-20(24)16-11-15(12-6-8-14(21)9-7-12)18-10-13-4-2-3-5-17(13)22(18)19(16)23/h2-10,15-16H,11H2,1H3
InChIKeyQKUACROCXWAZRJ-UHFFFAOYSA-N
XLogP3.75
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((R)-7-((R)-2-(4-fluorophenyl)-N-methylpropanamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
CID 53248845
{(7R)-7-[[(3,4-difluorophenyl)acetyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
CID 54580743
(R)-2-(7-(2-(4-fluorophenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
CID 54583706
{(7R)-7-[[(2,4-difluorophenyl)acetyl] (methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
CID 54584673
2-((R)-7-((S)-2-(4-fluorophenyl)-N-methylpropanamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
CID 54580744
dimethyl 10-[(E)-2-nitrovinyl]-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate
CID 6474609
Vincaminoreine
CID 12444831
1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,4,5,6-hexahydro-10-fluoro-3-methyl-6-oxo-, methyl ester, cis-
CID 3049894
Dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
CID 164946678
methyl (13S,15S)-15-ethyl-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
CID 12444830
ethyl (2R)-2-(1-benzyl-5-fluoro-2-methylindol-3-yl)-5-methylhexanoate
CID 53242839
Dimethyl 2-((1-(4-chlorobenzoyl)-2-(trifluoromethyl)-1H-indo-l-3-yl)methyl)malonate
CID 72942230

Frequently Asked Questions

What is the IUPAC name of methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate?
The IUPAC name of methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate (CID 135068236) is methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate.
What is the SMILES notation for methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate?
The canonical SMILES for methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate is COC(=O)C1CC(c2ccc(F)cc2)c2cc3ccccc3n2C1=O.
What is the InChIKey of methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate?
The InChIKey is QKUACROCXWAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-25-20(24)16-11-15(12-6-8-14(21)9-7-12)18-10-13-4-2-3-5-17(13)22(18)19(16)23/h2-10,15-16H,11H2,1H3.
What are the key properties of methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate?
methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(4-fluorophenyl)-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indole-7-carboxylate is sourced from PubChem (CID 135068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).