N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine

C17H15ClN4 — CID 9076910

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
SMILESC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(N)c1
InChIInChI=1S/C17H15ClN4/c1-11(12-3-2-4-14(19)9-12)21-22-16-7-8-20-17-10-13(18)5-6-15(16)17/h2-10H,19H2,1H3,(H,20,22)/b21-11-
InChIKeyHFILJPPZPTYTJP-NHDPSOOVSA-N
MW310.79 g/mol
LogP4.31
Rot. Bonds3

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine (PubChem CID 9076910) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
PubChem CID9076910
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
SMILESC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(N)c1
InChIInChI=1S/C17H15ClN4/c1-11(12-3-2-4-14(19)9-12)21-22-16-7-8-20-17-10-13(18)5-6-15(16)17/h2-10H,19H2,1H3,(H,20,22)/b21-11-
InChIKeyHFILJPPZPTYTJP-NHDPSOOVSA-N
XLogP4.31
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9076810
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine
CID 171615059
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-chloropyridazin-3-amine
CID 29225172
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
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine (CID 9076910) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine is C/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine?
The InChIKey is HFILJPPZPTYTJP-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-11(12-3-2-4-14(19)9-12)21-22-16-7-8-20-17-10-13(18)5-6-15(16)17/h2-10H,19H2,1H3,(H,20,22)/b21-11-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine has a molecular weight of 310.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine is sourced from PubChem (CID 9076910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).