dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate

C24H21NO6 — CID 102361301

IUPACdimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C(=O)c2ccc(OC)cc2)N2c3ccccc3C=CC12
InChIInChI=1S/C24H21NO6/c1-29-16-11-8-15(9-12-16)22(26)21-20(24(28)31-3)19(23(27)30-2)18-13-10-14-6-4-5-7-17(14)25(18)21/h4-13,18,21H,1-3H3
InChIKeyGMNAJRCMVRXBRI-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.80
Rot. Bonds5

About dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate

dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate (PubChem CID 102361301) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
PubChem CID102361301
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Namedimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C(=O)c2ccc(OC)cc2)N2c3ccccc3C=CC12
InChIInChI=1S/C24H21NO6/c1-29-16-11-8-15(9-12-16)22(26)21-20(24(28)31-3)19(23(27)30-2)18-13-10-14-6-4-5-7-17(14)25(18)21/h4-13,18,21H,1-3H3
InChIKeyGMNAJRCMVRXBRI-UHFFFAOYSA-N
XLogP2.80
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

16-(4-methoxybenzoyl)-13-(4-methoxyphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3272272
1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
CID 3870214
[(1R,2S,3R,3aS)-3-nitro-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 42387280
(10R,11S,15R,16R)-16-(4-methoxybenzoyl)-13-naphthalen-1-yl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 40902990
(10R,11R,15R,16S)-16-(4-methoxybenzoyl)-13-naphthalen-1-yl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124820725
13-(4-bromophenyl)-16-(4-methoxybenzoyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3743302
(1'R,3R,3'R,3'aS)-1',3'-bis(4-methoxybenzoyl)spiro[1H-indole-3,2'-3,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98309890
16-(4-chlorobenzoyl)-13-(4-methoxyphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3824072
(10R,11S,15S,16S)-13-(3,5-dichlorophenyl)-16-(4-methoxybenzoyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 51452783
methyl (1R,2S,3R,3aS)-1-(4-chlorobenzoyl)-3-cyano-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate
CID 124824402
methyl (1R,2R,3S,3aS)-1-(4-chlorobenzoyl)-3-cyano-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate
CID 40909641
(1S,2S,3aR)-1-(4-chlorobenzoyl)-2-(4-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
CID 11862094

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate (CID 102361301) is dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(C(=O)c2ccc(OC)cc2)N2c3ccccc3C=CC12.
What is the InChIKey of dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The InChIKey is GMNAJRCMVRXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-16-11-8-15(9-12-16)22(26)21-20(24(28)31-3)19(23(27)30-2)18-13-10-14-6-4-5-7-17(14)25(18)21/h4-13,18,21H,1-3H3.
What are the key properties of dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate has a molecular weight of 419.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-methoxybenzoyl)-1,3a-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate is sourced from PubChem (CID 102361301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).