N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide

C21H17ClN4O2 — CID 135440123

IUPACN'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C21H17ClN4O2/c1-26(2)12-23-18-11-17(28-25-18)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)24-21(20)27/h3-12H,1-2H3,(H,24,27)/b23-12+
InChIKeyMMVVCBOPCMIWFU-FSJBWODESA-N
MW392.85 g/mol
LogP4.72
Rot. Bonds4

About N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide

N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 135440123) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide
PubChem CID135440123
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C21H17ClN4O2/c1-26(2)12-23-18-11-17(28-25-18)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)24-21(20)27/h3-12H,1-2H3,(H,24,27)/b23-12+
InChIKeyMMVVCBOPCMIWFU-FSJBWODESA-N
XLogP4.72
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide with MolForge

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Related Compounds

6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 135421239
3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid
CID 135497060
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 166440547
6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one
CID 135454951
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
6-chloro-3-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1H-quinolin-2-one
CID 118677166
6-chloro-4-phenyl-3-[5-(2-phenylethenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1H-quinolin-2-one
CID 135468918
6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
CID 142993457
6-chloro-3-[3-(2-methylphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 4668889

Frequently Asked Questions

What is the IUPAC name of N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide (CID 135440123) is N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is MMVVCBOPCMIWFU-FSJBWODESA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-26(2)12-23-18-11-17(28-25-18)20-19(13-6-4-3-5-7-13)15-10-14(22)8-9-16(15)24-21(20)27/h3-12H,1-2H3,(H,24,27)/b23-12+.
What are the key properties of N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide?
N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 392.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-1,2-oxazol-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 135440123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).