N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide

C17H12N4O4 — CID 135651698

IUPACN-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccncc1
InChIInChI=1S/C17H12N4O4/c22-16-12(8-19-21-17(23)10-1-3-18-4-2-10)5-11-6-14-15(25-9-24-14)7-13(11)20-16/h1-8H,9H2,(H,20,22)(H,21,23)/b19-8+
InChIKeyKIKCFFKNSCDIKS-UFWORHAWSA-N
MW336.31 g/mol
LogP1.42
Rot. Bonds3

About N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135651698) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID135651698
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC NameN-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccncc1
InChIInChI=1S/C17H12N4O4/c22-16-12(8-19-21-17(23)10-1-3-18-4-2-10)5-11-6-14-15(25-9-24-14)7-13(11)20-16/h1-8H,9H2,(H,20,22)(H,21,23)/b19-8+
InChIKeyKIKCFFKNSCDIKS-UFWORHAWSA-N
XLogP1.42
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide with MolForge

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Related Compounds

4-bromo-N-[(E)-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]benzamide
CID 135651442
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
CID 5367261
[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 6896250
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
N-[(E)-(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
CID 5333683
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
7-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 135651238
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 1001986
4-fluoro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126075233

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide (CID 135651698) is N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccncc1.
What is the InChIKey of N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is KIKCFFKNSCDIKS-UFWORHAWSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-16-12(8-19-21-17(23)10-1-3-18-4-2-10)5-11-6-14-15(25-9-24-14)7-13(11)20-16/h1-8H,9H2,(H,20,22)(H,21,23)/b19-8+.
What are the key properties of N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135651698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).