N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

C22H17ClN4O — CID 6897391

IUPACN-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C22H17ClN4O/c23-22-18(11-17-7-3-4-8-20(17)26-22)13-25-27-21(28)14-24-19-10-9-15-5-1-2-6-16(15)12-19/h1-13,24H,14H2,(H,27,28)/b25-13+
InChIKeyLQJZSQNIRIQIHA-DHRITJCHSA-N
MW388.86 g/mol
LogP4.60
Rot. Bonds5

About N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 6897391) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID6897391
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2ccccc2nc1Cl
InChIInChI=1S/C22H17ClN4O/c23-22-18(11-17-7-3-4-8-20(17)26-22)13-25-27-21(28)14-24-19-10-9-15-5-1-2-6-16(15)12-19/h1-13,24H,14H2,(H,27,28)/b25-13+
InChIKeyLQJZSQNIRIQIHA-DHRITJCHSA-N
XLogP4.60
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 136816632
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6028352
N-[2-[(2E)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 51061184
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
3-chloro-N-[2-[2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 4119566
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 6897391) is N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is LQJZSQNIRIQIHA-DHRITJCHSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-22-18(11-17-7-3-4-8-20(17)26-22)13-25-27-21(28)14-24-19-10-9-15-5-1-2-6-16(15)12-19/h1-13,24H,14H2,(H,27,28)/b25-13+.
What are the key properties of N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 388.86 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 6897391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).