6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide

C15H11ClN4O — CID 62805982

IUPAC6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H11ClN4O/c16-11-5-6-13(17)20-14(11)15(21)19-10-7-9-3-1-2-4-12(9)18-8-10/h1-8H,(H2,17,20)(H,19,21)
InChIKeyGXRWVLJLUDUDSH-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.12
Rot. Bonds2

About 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide

6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide (PubChem CID 62805982) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
PubChem CID62805982
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C15H11ClN4O/c16-11-5-6-13(17)20-14(11)15(21)19-10-7-9-3-1-2-4-12(9)18-8-10/h1-8H,(H2,17,20)(H,19,21)
InChIKeyGXRWVLJLUDUDSH-UHFFFAOYSA-N
XLogP3.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide (CID 62805982) is 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide is Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide?
The InChIKey is GXRWVLJLUDUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-5-6-13(17)20-14(11)15(21)19-10-7-9-3-1-2-4-12(9)18-8-10/h1-8H,(H2,17,20)(H,19,21).
What are the key properties of 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide?
6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 62805982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).