N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide

C22H22N4O3 — CID 46803724

IUPACN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C22H22N4O3/c1-15(16-8-11-18(12-9-16)29-14-21(27)26(2)3)24-25-22(28)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,14H2,1-3H3,(H,25,28)/b24-15+
InChIKeyQHZCZTJGDYCZLJ-BUVRLJJBSA-N
MW390.44 g/mol
LogP2.86
Rot. Bonds6

About N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide

N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide (PubChem CID 46803724) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
PubChem CID46803724
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C22H22N4O3/c1-15(16-8-11-18(12-9-16)29-14-21(27)26(2)3)24-25-22(28)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,14H2,1-3H3,(H,25,28)/b24-15+
InChIKeyQHZCZTJGDYCZLJ-BUVRLJJBSA-N
XLogP2.86
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026582
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 55352920
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24701395
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923781
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide (CID 46803724) is N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide is C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide?
The InChIKey is QHZCZTJGDYCZLJ-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(16-8-11-18(12-9-16)29-14-21(27)26(2)3)24-25-22(28)20-13-10-17-6-4-5-7-19(17)23-20/h4-13H,14H2,1-3H3,(H,25,28)/b24-15+.
What are the key properties of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide?
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 46803724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).