7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine

C20H18ClN6+ — CID 171615059

IUPAC7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine
SMILESCC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(-n2cc[n+](C)c2)nc1
InChIInChI=1S/C20H18ClN6/c1-14(15-3-6-20(23-12-15)27-10-9-26(2)13-27)24-25-18-7-8-22-19-11-16(21)4-5-17(18)19/h3-13H,1-2H3,(H,22,25)/q+1
InChIKeyIZGIDDIVGGNKCO-UHFFFAOYSA-N
MW377.86 g/mol
LogP3.73
Rot. Bonds4

About 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine

7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine (PubChem CID 171615059) has the molecular formula C20H18ClN6+ and a molecular weight of 377.86 g/mol. Its IUPAC name is 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine
PubChem CID171615059
Molecular FormulaC20H18ClN6+
Molecular Weight377.86 g/mol
Exact Mass377.13
IUPAC Name7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine
SMILESCC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(-n2cc[n+](C)c2)nc1
InChIInChI=1S/C20H18ClN6/c1-14(15-3-6-20(23-12-15)27-10-9-26(2)13-27)24-25-18-7-8-22-19-11-16(21)4-5-17(18)19/h3-13H,1-2H3,(H,22,25)/q+1
InChIKeyIZGIDDIVGGNKCO-UHFFFAOYSA-N
XLogP3.73
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
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-[(E)-1-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]ethylideneamino]quinazolin-4-amine
CID 167508660
3-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135524194
7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
CID 9076847
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932
7-chloro-N-[(E)-1-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]ethylideneamino]quinazolin-4-amine;fluorooxy(methyl)phosphinic acid
CID 167508713
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine (CID 171615059) is 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine is CC(=NNc1ccnc2cc(Cl)ccc12)c1ccc(-n2cc[n+](C)c2)nc1.
What is the InChIKey of 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine?
The InChIKey is IZGIDDIVGGNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN6/c1-14(15-3-6-20(23-12-15)27-10-9-26(2)13-27)24-25-18-7-8-22-19-11-16(21)4-5-17(18)19/h3-13H,1-2H3,(H,22,25)/q+1.
What are the key properties of 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine?
7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine has a molecular weight of 377.86 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-[6-(3-methylimidazol-3-ium-1-yl)-3-pyridinyl]ethylideneamino]quinolin-4-amine is sourced from PubChem (CID 171615059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).