3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline

C16H11Cl2N3 — CID 4545818

IUPAC3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
SMILESClc1ccc(NN=Cc2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C16H11Cl2N3/c17-14-5-4-13(9-15(14)18)21-20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-10,21H
InChIKeyXDICDFSHVHIAJF-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.99
Rot. Bonds3

About 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline

3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline (PubChem CID 4545818) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
PubChem CID4545818
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline
SMILESClc1ccc(NN=Cc2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C16H11Cl2N3/c17-14-5-4-13(9-15(14)18)21-20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-10,21H
InChIKeyXDICDFSHVHIAJF-UHFFFAOYSA-N
XLogP4.99
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,4-dichloro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
CID 6146065
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
N-(2-chloro-4-fluorophenyl)-1-quinolin-6-ylmethanimine
CID 2358606
6-bromo-4-(4-chlorophenyl)-N-(quinolin-6-ylmethylideneamino)quinazolin-2-amine
CID 91941799
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
CID 73242933
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline?
The IUPAC name of 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline (CID 4545818) is 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline.
What is the SMILES notation for 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline?
The canonical SMILES for 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline is Clc1ccc(NN=Cc2ccc3ncccc3c2)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline?
The InChIKey is XDICDFSHVHIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3/c17-14-5-4-13(9-15(14)18)21-20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-10,21H.
What are the key properties of 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline?
3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline has a molecular weight of 316.19 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(quinolin-6-ylmethylideneamino)aniline is sourced from PubChem (CID 4545818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).