(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one

C22H19N3O2 — CID 1327546

IUPAC(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N(C)C)nc12
InChIInChI=1S/C22H19N3O2/c1-14-8-7-11-16-12-17(20(25(2)3)24-19(14)16)13-18-22(26)27-21(23-18)15-9-5-4-6-10-15/h4-13H,1-3H3/b18-13-
InChIKeyNCUTURMEMZCDBU-AQTBWJFISA-N
MW357.41 g/mol
LogP3.95
Rot. Bonds3

About (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 1327546) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID1327546
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N(C)C)nc12
InChIInChI=1S/C22H19N3O2/c1-14-8-7-11-16-12-17(20(25(2)3)24-19(14)16)13-18-22(26)27-21(23-18)15-9-5-4-6-10-15/h4-13H,1-3H3/b18-13-
InChIKeyNCUTURMEMZCDBU-AQTBWJFISA-N
XLogP3.95
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(4-tert-butylphenyl)-4-[[2-(4-chlorophenyl)sulfanyl-8-methylquinolin-3-yl]methylidene]-1,3-oxazol-5-one
CID 17101022
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
(4E)-2-(3-fluorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 19578690
(4E)-4-(anthracen-9-ylmethylidene)-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 20834647
4-[(2,5-dimethylphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 2875285
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
4-[(2,3-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 3427460
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5292750

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 1327546) is (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is Cc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N(C)C)nc12.
What is the InChIKey of (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is NCUTURMEMZCDBU-AQTBWJFISA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-8-7-11-16-12-17(20(25(2)3)24-19(14)16)13-18-22(26)27-21(23-18)15-9-5-4-6-10-15/h4-13H,1-3H3/b18-13-.
What are the key properties of (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 357.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-(dimethylamino)-8-methylquinolin-3-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 1327546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).