N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide

C19H15ClN4O3 — CID 51061370

IUPACN'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C19H15ClN4O3/c1-27-15-8-6-14(7-9-15)22-18(25)19(26)24-21-11-13-10-12-4-2-3-5-16(12)23-17(13)20/h2-11H,1H3,(H,22,25)(H,24,26)/b21-11+
InChIKeyOQQSRWXOEDBGKJ-SRZZPIQSSA-N
MW382.81 g/mol
LogP2.99
Rot. Bonds4

About N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 51061370) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID51061370
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C19H15ClN4O3/c1-27-15-8-6-14(7-9-15)22-18(25)19(26)24-21-11-13-10-12-4-2-3-5-16(12)23-17(13)20/h2-11H,1H3,(H,22,25)(H,24,26)/b21-11+
InChIKeyOQQSRWXOEDBGKJ-SRZZPIQSSA-N
XLogP2.99
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 5390979
N'-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 6001803
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 51061370) is N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1.
What is the InChIKey of N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is OQQSRWXOEDBGKJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-27-15-8-6-14(7-9-15)22-18(25)19(26)24-21-11-13-10-12-4-2-3-5-16(12)23-17(13)20/h2-11H,1H3,(H,22,25)(H,24,26)/b21-11+.
What are the key properties of N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 382.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 51061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).