methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate

C23H19N3O3 — CID 10833965

IUPACmethyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-29-23(28)21(15-7-3-2-4-8-15)26-22(27)18-13-20(16-11-12-24-14-16)25-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,26,27)
InChIKeyPKIJUVYMTMPTHR-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.87
Rot. Bonds5

About methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate

methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate (PubChem CID 10833965) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate
PubChem CID10833965
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namemethyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O3/c1-29-23(28)21(15-7-3-2-4-8-15)26-22(27)18-13-20(16-11-12-24-14-16)25-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,26,27)
InChIKeyPKIJUVYMTMPTHR-UHFFFAOYSA-N
XLogP3.87
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate (CID 10833965) is methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate is COC(=O)C(NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate?
The InChIKey is PKIJUVYMTMPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-23(28)21(15-7-3-2-4-8-15)26-22(27)18-13-20(16-11-12-24-14-16)25-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,26,27).
What are the key properties of methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate?
methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate has a molecular weight of 385.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[[2-(1H-pyrrol-3-yl)quinoline-4-carbonyl]amino]acetate is sourced from PubChem (CID 10833965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).