7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine

C16H13ClN4 — CID 4004947

IUPAC7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
SMILESCC(=NNc1ccnc2cc(Cl)ccc12)c1ccncc1
InChIInChI=1S/C16H13ClN4/c1-11(12-4-7-18-8-5-12)20-21-15-6-9-19-16-10-13(17)2-3-14(15)16/h2-10H,1H3,(H,19,21)
InChIKeyDZMUOJHZNLTWFN-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.12
Rot. Bonds3

About 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine

7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine (PubChem CID 4004947) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
PubChem CID4004947
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
SMILESCC(=NNc1ccnc2cc(Cl)ccc12)c1ccncc1
InChIInChI=1S/C16H13ClN4/c1-11(12-4-7-18-8-5-12)20-21-15-6-9-19-16-10-13(17)2-3-14(15)16/h2-10H,1H3,(H,19,21)
InChIKeyDZMUOJHZNLTWFN-UHFFFAOYSA-N
XLogP4.12
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.12
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

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9076810
7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine
CID 171615059
7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
CID 9076847
3-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135524194
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6176920

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine (CID 4004947) is 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine is CC(=NNc1ccnc2cc(Cl)ccc12)c1ccncc1.
What is the InChIKey of 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine?
The InChIKey is DZMUOJHZNLTWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-11(12-4-7-18-8-5-12)20-21-15-6-9-19-16-10-13(17)2-3-14(15)16/h2-10H,1H3,(H,19,21).
What are the key properties of 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine?
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine has a molecular weight of 296.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine is sourced from PubChem (CID 4004947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).