5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide

C22H17ClN4O — CID 109189981

IUPAC5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C22H17ClN4O/c23-18-8-2-1-5-16(18)13-25-17-10-11-20(26-14-17)22(28)27-19-9-3-6-15-7-4-12-24-21(15)19/h1-12,14,25H,13H2,(H,27,28)
InChIKeyIEGUKYBGADCOAI-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.15
Rot. Bonds5

About 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide

5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109189981) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109189981
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C22H17ClN4O/c23-18-8-2-1-5-16(18)13-25-17-10-11-20(26-14-17)22(28)27-19-9-3-6-15-7-4-12-24-21(15)19/h1-12,14,25H,13H2,(H,27,28)
InChIKeyIEGUKYBGADCOAI-UHFFFAOYSA-N
XLogP5.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
5-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109192303
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
5-(cyclopropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180200
5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109189944
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide (CID 109189981) is 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is IEGUKYBGADCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-18-8-2-1-5-16(18)13-25-17-10-11-20(26-14-17)22(28)27-19-9-3-6-15-7-4-12-24-21(15)19/h1-12,14,25H,13H2,(H,27,28).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109189981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).