8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide

C14H11N5O — CID 110487208

IUPAC8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide
SMILESNc1cccc2ccc(C(=O)Nc3ccncn3)nc12
InChIInChI=1S/C14H11N5O/c15-10-3-1-2-9-4-5-11(18-13(9)10)14(20)19-12-6-7-16-8-17-12/h1-8H,15H2,(H,16,17,19,20)
InChIKeyMJFPOXLCYQVVLK-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.86
Rot. Bonds2

About 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide

8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide (PubChem CID 110487208) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide
PubChem CID110487208
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide
SMILESNc1cccc2ccc(C(=O)Nc3ccncn3)nc12
InChIInChI=1S/C14H11N5O/c15-10-3-1-2-9-4-5-11(18-13(9)10)14(20)19-12-6-7-16-8-17-12/h1-8H,15H2,(H,16,17,19,20)
InChIKeyMJFPOXLCYQVVLK-UHFFFAOYSA-N
XLogP1.86
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(difluoromethyl)phenyl]-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 70852962
2-amino-3-chloro-N-pyrimidin-4-ylbenzamide
CID 82547270
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
6-hydrazinyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 62242538
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
N-(4-chlorophenyl)-8-hydroxyquinoline-2-carboxamide
CID 122182106
N-(3-chlorophenyl)-N'-pyrimidin-4-ylbut-2-enediamide
CID 123515071
2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 110451153
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917
8-hydroxy-N-(1H-pyrazol-5-yl)quinoline-2-carboxamide
CID 67141006

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide?
The IUPAC name of 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide (CID 110487208) is 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide is Nc1cccc2ccc(C(=O)Nc3ccncn3)nc12.
What is the InChIKey of 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide?
The InChIKey is MJFPOXLCYQVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-10-3-1-2-9-4-5-11(18-13(9)10)14(20)19-12-6-7-16-8-17-12/h1-8H,15H2,(H,16,17,19,20).
What are the key properties of 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide?
8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 110487208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).