methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate

C23H18N2O3S — CID 10716102

IUPACmethyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C23H18N2O3S/c1-28-23(27)21(20-12-7-13-29-20)25-22(26)17-14-19(15-8-3-2-4-9-15)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)
InChIKeyNZJQQDQYSZLXCY-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.61
Rot. Bonds5

About methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate

methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate (PubChem CID 10716102) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate
PubChem CID10716102
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Namemethyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C23H18N2O3S/c1-28-23(27)21(20-12-7-13-29-20)25-22(26)17-14-19(15-8-3-2-4-9-15)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26)
InChIKeyNZJQQDQYSZLXCY-UHFFFAOYSA-N
XLogP4.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate?
The IUPAC name of methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate (CID 10716102) is methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate.
What is the SMILES notation for methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate?
The canonical SMILES for methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1.
What is the InChIKey of methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate?
The InChIKey is NZJQQDQYSZLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-28-23(27)21(20-12-7-13-29-20)25-22(26)17-14-19(15-8-3-2-4-9-15)24-18-11-6-5-10-16(17)18/h2-14,21H,1H3,(H,25,26).
What are the key properties of methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate?
methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate has a molecular weight of 402.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenylquinoline-4-carbonyl)amino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 10716102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).