methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate

C17H18N2O4 — CID 110673152

IUPACmethyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCc2cc3ccc(OC)cc3nc21
InChIInChI=1S/C17H18N2O4/c1-22-13-4-3-11-9-12-7-8-19(17(12)18-14(11)10-13)15(20)5-6-16(21)23-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOAXWLMAPZLBQAX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate

methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate (PubChem CID 110673152) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
PubChem CID110673152
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCc2cc3ccc(OC)cc3nc21
InChIInChI=1S/C17H18N2O4/c1-22-13-4-3-11-9-12-7-8-19(17(12)18-14(11)10-13)15(20)5-6-16(21)23-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOAXWLMAPZLBQAX-UHFFFAOYSA-N
XLogP2.09
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
(4-methoxyphenyl)-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996288
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
3-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110673137
3H-benzimidazol-5-yl-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 110673139
2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
CID 18859318
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
CID 4906431
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
CID 18859307
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
(4-methoxyphenyl)-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996236
1-(7-chloro-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 110672815

Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate (CID 110673152) is methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate is COC(=O)CCC(=O)N1CCc2cc3ccc(OC)cc3nc21.
What is the InChIKey of methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate?
The InChIKey is OAXWLMAPZLBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-13-4-3-11-9-12-7-8-19(17(12)18-14(11)10-13)15(20)5-6-16(21)23-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate?
methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate has a molecular weight of 314.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 110673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).