[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea

C12H12N4O2 — CID 141311097

IUPAC[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
SMILESCc1ccc2[nH]c(=O)c(C=NNC(N)=O)cc2c1
InChIInChI=1S/C12H12N4O2/c1-7-2-3-10-8(4-7)5-9(11(17)15-10)6-14-16-12(13)18/h2-6H,1H3,(H,15,17)(H3,13,16,18)
InChIKeyHQCKXUJSTMWFHQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.84
Rot. Bonds2

About [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea

[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea (PubChem CID 141311097) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
PubChem CID141311097
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
SMILESCc1ccc2[nH]c(=O)c(C=NNC(N)=O)cc2c1
InChIInChI=1S/C12H12N4O2/c1-7-2-3-10-8(4-7)5-9(11(17)15-10)6-14-16-12(13)18/h2-6H,1H3,(H,15,17)(H3,13,16,18)
InChIKeyHQCKXUJSTMWFHQ-UHFFFAOYSA-N
XLogP0.84
TPSA100.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
N-[(E)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135684696
6-methyl-3-[(3-methylphenyl)iminomethyl]-1H-quinolin-2-one
CID 931634
3-[(2,5-dimethylphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
CID 936422
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
CID 135645713
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366

Frequently Asked Questions

What is the IUPAC name of [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea?
The IUPAC name of [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea (CID 141311097) is [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea.
What is the SMILES notation for [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea?
The canonical SMILES for [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea is Cc1ccc2[nH]c(=O)c(C=NNC(N)=O)cc2c1.
What is the InChIKey of [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea?
The InChIKey is HQCKXUJSTMWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-2-3-10-8(4-7)5-9(11(17)15-10)6-14-16-12(13)18/h2-6H,1H3,(H,15,17)(H3,13,16,18).
What are the key properties of [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea?
[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea has a molecular weight of 244.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea is sourced from PubChem (CID 141311097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).