1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine

C16H10Cl2N2 — CID 2785143

IUPAC1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine
SMILESClc1nc2ccccc2c(Cl)c1/C=N/c1ccccc1
InChIInChI=1S/C16H10Cl2N2/c17-15-12-8-4-5-9-14(12)20-16(18)13(15)10-19-11-6-2-1-3-7-11/h1-10H/b19-10+
InChIKeyQOFWWXDYHXMYDA-VXLYETTFSA-N
MW301.18 g/mol
LogP5.29
Rot. Bonds2

About 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine

1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine (PubChem CID 2785143) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine
PubChem CID2785143
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine
SMILESClc1nc2ccccc2c(Cl)c1/C=N/c1ccccc1
InChIInChI=1S/C16H10Cl2N2/c17-15-12-8-4-5-9-14(12)20-16(18)13(15)10-19-11-6-2-1-3-7-11/h1-10H/b19-10+
InChIKeyQOFWWXDYHXMYDA-VXLYETTFSA-N
XLogP5.29
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloroquinoline-3-carbaldehyde
CID 14920516
1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
CID 157427941
2,3-dichloroquinoline-4-carbaldehyde
CID 174397370
4-bromo-2-chloroquinoline-3-carbaldehyde
CID 166721796
4-chloro-3-ethenyl-2-methylquinoline
CID 58125410
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride
CID 70012907
(3-chloroquinoxalin-2-yl)methylidenehydrazine
CID 71329398
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
CID 4162835

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine?
The IUPAC name of 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine (CID 2785143) is 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine is Clc1nc2ccccc2c(Cl)c1/C=N/c1ccccc1.
What is the InChIKey of 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine?
The InChIKey is QOFWWXDYHXMYDA-VXLYETTFSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-15-12-8-4-5-9-14(12)20-16(18)13(15)10-19-11-6-2-1-3-7-11/h1-10H/b19-10+.
What are the key properties of 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine?
1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine has a molecular weight of 301.18 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine is sourced from PubChem (CID 2785143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).