(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine

C24H26N6O — CID 143662692

IUPAC(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine
SMILESCNC.[H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cccc(C=O)c1
InChIInChI=1S/C22H19N5O.C2H7N/c23-19(17-4-1-3-16(12-17)14-28)7-9-21(24)27-22(25)13-15-6-8-20-18(11-15)5-2-10-26-20;1-3-2/h1-12,14,23H,13H2,(H3,24,25,27);3H,1-2H3/b9-7-,23-19-;
InChIKeySDWFHAVXLVINQF-XFBJBKQOSA-N
MW414.51 g/mol
LogP3.38
Rot. Bonds6

About (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine

(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine (PubChem CID 143662692) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine.

Molecular Properties

Compound Name(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine
PubChem CID143662692
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine
SMILESCNC.[H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cccc(C=O)c1
InChIInChI=1S/C22H19N5O.C2H7N/c23-19(17-4-1-3-16(12-17)14-28)7-9-21(24)27-22(25)13-15-6-8-20-18(11-15)5-2-10-26-20;1-3-2/h1-12,14,23H,13H2,(H3,24,25,27);3H,1-2H3/b9-7-,23-19-;
InChIKeySDWFHAVXLVINQF-XFBJBKQOSA-N
XLogP3.38
TPSA128.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(3,5-difluorophenyl)-4-iminobut-2-enimidamide
CID 143662439
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
CID 143759585
quinolin-6-ylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83083220
1-S-[N'-(2-quinolin-6-ylacetyl)carbamimidoyl] 6-S-[N-(2-quinolin-6-ylacetyl)carbamimidoyl] hexanediimidothioate
CID 142295019
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
bis[N-(2-quinolin-6-ylacetyl)carbamimidoyl] hexanediimidothioate
CID 154038457
(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
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
(Z)-4-[[1-amino-2-(5,7-difluoroquinolin-6-yl)ethylidene]amino]-4-iminobut-2-enimidoyl chloride
CID 143662675
(2E,4E)-5-amino-N-(1-amino-3-methylbutylidene)-6-(3-formylbenzenecarboximidoyl)-2-methylhepta-2,4,6-trienimidamide;4-fluoro-N-methylaniline
CID 142958076
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-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine?
The IUPAC name of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine (CID 143662692) is (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine.
What is the SMILES notation for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine?
The canonical SMILES for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine is CNC.[H]/N=C(/C=C\C(\N=C(/N)Cc1ccc2ncccc2c1)=N/[H])c1cccc(C=O)c1.
What is the InChIKey of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine?
The InChIKey is SDWFHAVXLVINQF-XFBJBKQOSA-N. The full InChI is InChI=1S/C22H19N5O.C2H7N/c23-19(17-4-1-3-16(12-17)14-28)7-9-21(24)27-22(25)13-15-6-8-20-18(11-15)5-2-10-26-20;1-3-2/h1-12,14,23H,13H2,(H3,24,25,27);3H,1-2H3/b9-7-,23-19-;.
What are the key properties of (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine?
(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine has a molecular weight of 414.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3-formylphenyl)-4-iminobut-2-enimidamide;N-methylmethanamine is sourced from PubChem (CID 143662692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).