N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide

C23H18N4O3 — CID 5164609

IUPACN-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H18N4O3/c28-21(14-24-23(30)19-10-5-8-15-6-1-3-9-18(15)19)27-25-13-17-12-16-7-2-4-11-20(16)26-22(17)29/h1-13H,14H2,(H,24,30)(H,26,29)(H,27,28)
InChIKeyVPSHVMJMKGQWGB-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.56
Rot. Bonds5

About N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide

N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide (PubChem CID 5164609) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
PubChem CID5164609
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C23H18N4O3/c28-21(14-24-23(30)19-10-5-8-15-6-1-3-9-18(15)19)27-25-13-17-12-16-7-2-4-11-20(16)26-22(17)29/h1-13H,14H2,(H,24,30)(H,26,29)(H,27,28)
InChIKeyVPSHVMJMKGQWGB-UHFFFAOYSA-N
XLogP2.56
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 67969256
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
N-[2-[(2Z)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 136822697
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide (CID 5164609) is N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide?
The InChIKey is VPSHVMJMKGQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-21(14-24-23(30)19-10-5-8-15-6-1-3-9-18(15)19)27-25-13-17-12-16-7-2-4-11-20(16)26-22(17)29/h1-13H,14H2,(H,24,30)(H,26,29)(H,27,28).
What are the key properties of N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide?
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 5164609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).