(2-carbamoylphenyl) quinoline-3-carboxylate

C17H12N2O3 — CID 139568537

IUPAC(2-carbamoylphenyl) quinoline-3-carboxylate
SMILESNC(=O)c1ccccc1OC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C17H12N2O3/c18-16(20)13-6-2-4-8-15(13)22-17(21)12-9-11-5-1-3-7-14(11)19-10-12/h1-10H,(H2,18,20)
InChIKeyOVXCQOGSPNHYCL-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.55
Rot. Bonds3

About (2-carbamoylphenyl) quinoline-3-carboxylate

(2-carbamoylphenyl) quinoline-3-carboxylate (PubChem CID 139568537) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2-carbamoylphenyl) quinoline-3-carboxylate.

Molecular Properties

Compound Name(2-carbamoylphenyl) quinoline-3-carboxylate
PubChem CID139568537
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(2-carbamoylphenyl) quinoline-3-carboxylate
SMILESNC(=O)c1ccccc1OC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C17H12N2O3/c18-16(20)13-6-2-4-8-15(13)22-17(21)12-9-11-5-1-3-7-14(11)19-10-12/h1-10H,(H2,18,20)
InChIKeyOVXCQOGSPNHYCL-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-3-carboxamide;hydrofluoride
CID 174911514
(2-carbamoylphenyl) quinoline-2-carboxylate
CID 139568542
cyclopentyl quinoline-3-carboxylate
CID 91372569
prop-2-enyl quinoline-3-carboxylate
CID 54359165
bis(quinoline-3-carbonyl) (E)-but-2-enedioate
CID 174526131
(2-carbamoylphenyl) 4-phenylbenzoate
CID 139568532
(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
CID 123444610
butyl quinoline-3-carboxylate
CID 54753708
quinoline-3-carboxylate
CID 4608508
CID 88968554
CID 88968554
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026
(2-carbamoylphenyl) 1-benzothiophene-2-carboxylate
CID 139568447

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) quinoline-3-carboxylate?
The IUPAC name of (2-carbamoylphenyl) quinoline-3-carboxylate (CID 139568537) is (2-carbamoylphenyl) quinoline-3-carboxylate.
What is the SMILES notation for (2-carbamoylphenyl) quinoline-3-carboxylate?
The canonical SMILES for (2-carbamoylphenyl) quinoline-3-carboxylate is NC(=O)c1ccccc1OC(=O)c1cnc2ccccc2c1.
What is the InChIKey of (2-carbamoylphenyl) quinoline-3-carboxylate?
The InChIKey is OVXCQOGSPNHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c18-16(20)13-6-2-4-8-15(13)22-17(21)12-9-11-5-1-3-7-14(11)19-10-12/h1-10H,(H2,18,20).
What are the key properties of (2-carbamoylphenyl) quinoline-3-carboxylate?
(2-carbamoylphenyl) quinoline-3-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-3-carboxylate is sourced from PubChem (CID 139568537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).