quinoline-3-carboxamide

C10H8N2O — CID 15561101

IUPACquinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)
InChIKeyBLTDCIWCFCUQCB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.33
Rot. Bonds1

About quinoline-3-carboxamide

quinoline-3-carboxamide (PubChem CID 15561101) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is quinoline-3-carboxamide.

Molecular Properties

Compound Namequinoline-3-carboxamide
PubChem CID15561101
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Namequinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)
InChIKeyBLTDCIWCFCUQCB-UHFFFAOYSA-N
XLogP1.33
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinoline-3-carboxamide?
The IUPAC name of quinoline-3-carboxamide (CID 15561101) is quinoline-3-carboxamide.
What is the SMILES notation for quinoline-3-carboxamide?
The canonical SMILES for quinoline-3-carboxamide is NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of quinoline-3-carboxamide?
The InChIKey is BLTDCIWCFCUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13).
What are the key properties of quinoline-3-carboxamide?
quinoline-3-carboxamide has a molecular weight of 172.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3-carboxamide is sourced from PubChem (CID 15561101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).