methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate

C21H20N2O2 — CID 174556500

IUPACmethyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate
SMILESCCc1ccccc1N1CCc2cnc3ccc(C(=O)OC)cc3c21
InChIInChI=1S/C21H20N2O2/c1-3-14-6-4-5-7-19(14)23-11-10-16-13-22-18-9-8-15(21(24)25-2)12-17(18)20(16)23/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDRWYVUVSCZYWHY-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.28
Rot. Bonds3

About methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate

methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate (PubChem CID 174556500) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate
PubChem CID174556500
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Namemethyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate
SMILESCCc1ccccc1N1CCc2cnc3ccc(C(=O)OC)cc3c21
InChIInChI=1S/C21H20N2O2/c1-3-14-6-4-5-7-19(14)23-11-10-16-13-22-18-9-8-15(21(24)25-2)12-17(18)20(16)23/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDRWYVUVSCZYWHY-UHFFFAOYSA-N
XLogP4.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
3-O-ethyl 6-O-methyl 4-(2-ethylanilino)quinoline-3,6-dicarboxylate
CID 1187581
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)quinazoline-6-carboxylate
CID 154849785
methyl 1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxylate
CID 165142456
methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
3-O-ethyl 6-O-methyl 4-[methyl-(1-methylpiperidin-4-yl)amino]quinoline-3,6-dicarboxylate
CID 23987403
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 1-[(2-methylquinolin-4-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71844832

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate?
The IUPAC name of methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate (CID 174556500) is methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate?
The canonical SMILES for methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate is CCc1ccccc1N1CCc2cnc3ccc(C(=O)OC)cc3c21.
What is the InChIKey of methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate?
The InChIKey is DRWYVUVSCZYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-14-6-4-5-7-19(14)23-11-10-16-13-22-18-9-8-15(21(24)25-2)12-17(18)20(16)23/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate?
methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline-8-carboxylate is sourced from PubChem (CID 174556500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).