4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide

C21H18N4O2 — CID 70689554

IUPAC4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(C(N)=O)cnc2c1
InChIInChI=1S/C21H18N4O2/c1-12-19(13(2)27-25-12)14-8-9-16-18(10-14)23-11-17(21(22)26)20(16)24-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,26)(H,23,24)
InChIKeyQWDANQMCVSOTGM-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.35
Rot. Bonds4

About 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide

4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide (PubChem CID 70689554) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
PubChem CID70689554
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(C(N)=O)cnc2c1
InChIInChI=1S/C21H18N4O2/c1-12-19(13(2)27-25-12)14-8-9-16-18(10-14)23-11-17(21(22)26)20(16)24-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,26)(H,23,24)
InChIKeyQWDANQMCVSOTGM-UHFFFAOYSA-N
XLogP4.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Tert-Butylphenyl)amino]-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid
CID 57339435
5,7-Bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
CID 137319657
4-(2-Tert-butylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxylic acid
CID 67207922
6-(3,5-dimethylisoxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296389
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
3,5-Dimethyl-4-[1-(pyridin-2-ylmethyl)indol-6-yl]-1,2-oxazole
CID 168279632
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 11811669
1-[1-(4-Fluorophenyl)ethyl]-3-[4-(3-quinolin-4-yl-1,2-oxazol-5-yl)phenyl]thiourea
CID 44393080
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-(4-nitroanilino)quinoline-3-carboxamide;hydrochloride
CID 44529489
4-(4-Chloroanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide;hydrochloride
CID 44529491
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)anilino]quinoline-3-carboxamide;hydrochloride
CID 44529503

Frequently Asked Questions

What is the IUPAC name of 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide (CID 70689554) is 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide is Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(C(N)=O)cnc2c1.
What is the InChIKey of 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The InChIKey is QWDANQMCVSOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-19(13(2)27-25-12)14-8-9-16-18(10-14)23-11-17(21(22)26)20(16)24-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 70689554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).