(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide

C21H17F2N5 — CID 143662439

IUPAC(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide
SMILES[H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5/c22-16-10-15(11-17(23)12-16)18(24)4-6-20(25)28-21(26)9-13-3-5-19-14(8-13)2-1-7-27-19/h1-8,10-12,24H,9H2,(H3,25,26,28)/b6-4-,24-18-
InChIKeyPPWGNWMALNTYPQ-ALWGGBASSA-N
MW377.40 g/mol
LogP4.01
Rot. Bonds5

About (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide

(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide (PubChem CID 143662439) has the molecular formula C21H17F2N5 and a molecular weight of 377.40 g/mol. Its IUPAC name is (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide
PubChem CID143662439
Molecular FormulaC21H17F2N5
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide
SMILES[H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5/c22-16-10-15(11-17(23)12-16)18(24)4-6-20(25)28-21(26)9-13-3-5-19-14(8-13)2-1-7-27-19/h1-8,10-12,24H,9H2,(H3,25,26,28)/b6-4-,24-18-
InChIKeyPPWGNWMALNTYPQ-ALWGGBASSA-N
XLogP4.01
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine
CID 143662692
6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623
quinolin-6-ylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83083220
(Z)-4-[[1-amino-2-(5,7-difluoroquinolin-6-yl)ethylidene]amino]-4-iminobut-2-enimidoyl chloride
CID 143662675
(Z)-N'-[(3aR)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-4-imino-4-quinolin-6-ylbut-2-enimidamide
CID 138578681
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
1-S-[N'-(2-quinolin-6-ylacetyl)carbamimidoyl] 6-S-[N-(2-quinolin-6-ylacetyl)carbamimidoyl] hexanediimidothioate
CID 142295019
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662814
6-(3-methoxyprop-2-enyl)quinoline
CID 169099761
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide?
The IUPAC name of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide (CID 143662439) is (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide?
The canonical SMILES for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide is [H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cc(F)cc(F)c1.
What is the InChIKey of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide?
The InChIKey is PPWGNWMALNTYPQ-ALWGGBASSA-N. The full InChI is InChI=1S/C21H17F2N5/c22-16-10-15(11-17(23)12-16)18(24)4-6-20(25)28-21(26)9-13-3-5-19-14(8-13)2-1-7-27-19/h1-8,10-12,24H,9H2,(H3,25,26,28)/b6-4-,24-18-.
What are the key properties of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide?
(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide has a molecular weight of 377.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide is sourced from PubChem (CID 143662439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).