7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine

C21H16ClN3O — CID 6181870

IUPAC7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc2ccccc2c1/C=N\Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H16ClN3O/c1-26-21-9-6-14-4-2-3-5-16(14)18(21)13-24-25-19-10-11-23-20-12-15(22)7-8-17(19)20/h2-13H,1H3,(H,23,25)/b24-13-
InChIKeyLXQYHTGCRFDWNE-CFRMEGHHSA-N
MW361.83 g/mol
LogP5.50
Rot. Bonds4

About 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine

7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine (PubChem CID 6181870) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
PubChem CID6181870
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc2ccccc2c1/C=N\Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H16ClN3O/c1-26-21-9-6-14-4-2-3-5-16(14)18(21)13-24-25-19-10-11-23-20-12-15(22)7-8-17(19)20/h2-13H,1H3,(H,23,25)/b24-13-
InChIKeyLXQYHTGCRFDWNE-CFRMEGHHSA-N
XLogP5.50
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.50
H-Bond Donors ≤ 51
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

7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
CID 5027998
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169261
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
CID 6056999

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine (CID 6181870) is 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine is COc1ccc2ccccc2c1/C=N\Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine?
The InChIKey is LXQYHTGCRFDWNE-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16ClN3O/c1-26-21-9-6-14-4-2-3-5-16(14)18(21)13-24-25-19-10-11-23-20-12-15(22)7-8-17(19)20/h2-13H,1H3,(H,23,25)/b24-13-.
What are the key properties of 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine has a molecular weight of 361.83 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 6181870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).