(2-carbamoylphenyl) quinoline-2-carboxylate

C17H12N2O3 — CID 139568542

IUPAC(2-carbamoylphenyl) quinoline-2-carboxylate
SMILESNC(=O)c1ccccc1OC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H12N2O3/c18-16(20)12-6-2-4-8-15(12)22-17(21)14-10-9-11-5-1-3-7-13(11)19-14/h1-10H,(H2,18,20)
InChIKeyWXJUBWRJBVRDGY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.55
Rot. Bonds3

About (2-carbamoylphenyl) quinoline-2-carboxylate

(2-carbamoylphenyl) quinoline-2-carboxylate (PubChem CID 139568542) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2-carbamoylphenyl) quinoline-2-carboxylate.

Molecular Properties

Compound Name(2-carbamoylphenyl) quinoline-2-carboxylate
PubChem CID139568542
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(2-carbamoylphenyl) quinoline-2-carboxylate
SMILESNC(=O)c1ccccc1OC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H12N2O3/c18-16(20)12-6-2-4-8-15(12)22-17(21)14-10-9-11-5-1-3-7-13(11)19-14/h1-10H,(H2,18,20)
InChIKeyWXJUBWRJBVRDGY-UHFFFAOYSA-N
XLogP2.55
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

quinoline-2-carboxamide;hydrobromide
CID 141009871
(2-carbamoylphenyl) quinoline-3-carboxylate
CID 139568537
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
quinoline-2-carboxamide;quinoxaline
CID 159476975
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 3481111
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
[1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 3388665
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895
(2-carbamoylphenyl) 1-benzothiophene-2-carboxylate
CID 139568447

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) quinoline-2-carboxylate?
The IUPAC name of (2-carbamoylphenyl) quinoline-2-carboxylate (CID 139568542) is (2-carbamoylphenyl) quinoline-2-carboxylate.
What is the SMILES notation for (2-carbamoylphenyl) quinoline-2-carboxylate?
The canonical SMILES for (2-carbamoylphenyl) quinoline-2-carboxylate is NC(=O)c1ccccc1OC(=O)c1ccc2ccccc2n1.
What is the InChIKey of (2-carbamoylphenyl) quinoline-2-carboxylate?
The InChIKey is WXJUBWRJBVRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c18-16(20)12-6-2-4-8-15(12)22-17(21)14-10-9-11-5-1-3-7-13(11)19-14/h1-10H,(H2,18,20).
What are the key properties of (2-carbamoylphenyl) quinoline-2-carboxylate?
(2-carbamoylphenyl) quinoline-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) quinoline-2-carboxylate is sourced from PubChem (CID 139568542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).