(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one

C22H21N5O2 — CID 90476857

IUPAC(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
SMILESCOc1ccc2nc(C)cc(NN3C(=O)/C(=C\c4ccc(N)cc4)N=C3C)c2c1
InChIInChI=1S/C22H21N5O2/c1-13-10-20(18-12-17(29-3)8-9-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-4-6-16(23)7-5-15/h4-12H,23H2,1-3H3,(H,24,26)/b21-11+
InChIKeySEOKQZNOBDPPDH-SRZZPIQSSA-N
MW387.44 g/mol
LogP3.76
Rot. Bonds4

About (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one

(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one (PubChem CID 90476857) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
PubChem CID90476857
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
SMILESCOc1ccc2nc(C)cc(NN3C(=O)/C(=C\c4ccc(N)cc4)N=C3C)c2c1
InChIInChI=1S/C22H21N5O2/c1-13-10-20(18-12-17(29-3)8-9-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-4-6-16(23)7-5-15/h4-12H,23H2,1-3H3,(H,24,26)/b21-11+
InChIKeySEOKQZNOBDPPDH-SRZZPIQSSA-N
XLogP3.76
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
CID 6448327
N-(3,5-dimethylphenyl)-N'-(6-methoxy-2-methylquinolin-4-yl)oxamide
CID 155925004
2-[(4-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 5078039
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5E)-5-[(4-methoxyphenyl)methylidene]-3-[[4-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]phthalazin-1-yl]amino]-2-phenylimidazol-4-one
CID 99668741
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
(5Z)-2-methyl-3-[[4-[[(4Z)-2-methyl-5-oxo-4-[(2,4,6-trimethoxyphenyl)methylidene]imidazol-1-yl]amino]phthalazin-1-yl]amino]-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazol-4-one
CID 6416023
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
5-[(4-hydroxyphenyl)methylidene]-3-(4-methoxyanilino)-2-phenylimidazol-4-one
CID 1275583
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The IUPAC name of (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one (CID 90476857) is (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one.
What is the SMILES notation for (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The canonical SMILES for (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one is COc1ccc2nc(C)cc(NN3C(=O)/C(=C\c4ccc(N)cc4)N=C3C)c2c1.
What is the InChIKey of (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
The InChIKey is SEOKQZNOBDPPDH-SRZZPIQSSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-10-20(18-12-17(29-3)8-9-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-4-6-16(23)7-5-15/h4-12H,23H2,1-3H3,(H,24,26)/b21-11+.
What are the key properties of (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one?
(5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-aminophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one is sourced from PubChem (CID 90476857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).