2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one

C15H12N4O — CID 21147746

IUPAC2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one
SMILESNC1=Nc2ccc(/N=C/c3cccnc3)cc2C(=O)C1
InChIInChI=1S/C15H12N4O/c16-15-7-14(20)12-6-11(3-4-13(12)19-15)18-9-10-2-1-5-17-8-10/h1-6,8-9H,7H2,(H2,16,19)/b18-9+
InChIKeyQHMGBRZETDMLRU-GIJQJNRQSA-N
MW264.29 g/mol
LogP2.41
Rot. Bonds2

About 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one

2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one (PubChem CID 21147746) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one.

Molecular Properties

Compound Name2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one
PubChem CID21147746
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one
SMILESNC1=Nc2ccc(/N=C/c3cccnc3)cc2C(=O)C1
InChIInChI=1S/C15H12N4O/c16-15-7-14(20)12-6-11(3-4-13(12)19-15)18-9-10-2-1-5-17-8-10/h1-6,8-9H,7H2,(H2,16,19)/b18-9+
InChIKeyQHMGBRZETDMLRU-GIJQJNRQSA-N
XLogP2.41
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 10659069
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N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
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N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine
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1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
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CID 4208581
3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2731306
4-(2-pyridin-3-ylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 3578021
3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
CID 54354310
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
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hydrazine;pyridine-3-carbaldehyde
CID 174684947
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884557

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one?
The IUPAC name of 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one (CID 21147746) is 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one.
What is the SMILES notation for 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one?
The canonical SMILES for 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one is NC1=Nc2ccc(/N=C/c3cccnc3)cc2C(=O)C1.
What is the InChIKey of 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one?
The InChIKey is QHMGBRZETDMLRU-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-7-14(20)12-6-11(3-4-13(12)19-15)18-9-10-2-1-5-17-8-10/h1-6,8-9H,7H2,(H2,16,19)/b18-9+.
What are the key properties of 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one?
2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one has a molecular weight of 264.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(pyridin-3-ylmethylideneamino)-3H-quinolin-4-one is sourced from PubChem (CID 21147746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).