N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine

C24H16ClN3 — CID 6059144

IUPACN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
SMILESClc1c2ccccc2c(/C=N\Nc2ccc3ccccc3n2)c2ccccc12
InChIInChI=1S/C24H16ClN3/c25-24-19-10-4-2-8-17(19)21(18-9-3-5-11-20(18)24)15-26-28-23-14-13-16-7-1-6-12-22(16)27-23/h1-15H,(H,27,28)/b26-15-
InChIKeyWKPIYVWAIVUBEC-YSMPRRRNSA-N
MW381.87 g/mol
LogP6.64
Rot. Bonds3

About N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine

N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine (PubChem CID 6059144) has the molecular formula C24H16ClN3 and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
PubChem CID6059144
Molecular FormulaC24H16ClN3
Molecular Weight381.87 g/mol
Exact Mass381.10
IUPAC NameN-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
SMILESClc1c2ccccc2c(/C=N\Nc2ccc3ccccc3n2)c2ccccc12
InChIInChI=1S/C24H16ClN3/c25-24-19-10-4-2-8-17(19)21(18-9-3-5-11-20(18)24)15-26-28-23-14-13-16-7-1-6-12-22(16)27-23/h1-15H,(H,27,28)/b26-15-
InChIKeyWKPIYVWAIVUBEC-YSMPRRRNSA-N
XLogP6.64
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.87
LogP ≤ 56.64
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904
5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135537580
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
CID 171151082
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922
4-tert-butyl-2,6-bis[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135590058
sodium N-quinolin-2-ylnitrous amide
CID 54608705

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine (CID 6059144) is N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine is Clc1c2ccccc2c(/C=N\Nc2ccc3ccccc3n2)c2ccccc12.
What is the InChIKey of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine?
The InChIKey is WKPIYVWAIVUBEC-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H16ClN3/c25-24-19-10-4-2-8-17(19)21(18-9-3-5-11-20(18)24)15-26-28-23-14-13-16-7-1-6-12-22(16)27-23/h1-15H,(H,27,28)/b26-15-.
What are the key properties of N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine?
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine has a molecular weight of 381.87 g/mol, XLogP of 6.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 6059144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).