2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide

C15H12ClN3O2 — CID 65486238

IUPAC2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
SMILESCc1noc(NC(=O)c2cc(Cl)nc3ccccc23)c1C
InChIInChI=1S/C15H12ClN3O2/c1-8-9(2)19-21-15(8)18-14(20)11-7-13(16)17-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,18,20)
InChIKeyZJOMQMVRRCBAAV-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide

2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide (PubChem CID 65486238) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
PubChem CID65486238
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
SMILESCc1noc(NC(=O)c2cc(Cl)nc3ccccc23)c1C
InChIInChI=1S/C15H12ClN3O2/c1-8-9(2)19-21-15(8)18-14(20)11-7-13(16)17-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,18,20)
InChIKeyZJOMQMVRRCBAAV-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 55799712
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
CID 106180063
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
CID 115769318
2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
CID 55907680
ethyl 4-[(2-chloroquinoline-4-carbonyl)amino]-3,5-dimethylbenzoate
CID 118174966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide (CID 65486238) is 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide is Cc1noc(NC(=O)c2cc(Cl)nc3ccccc23)c1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide?
The InChIKey is ZJOMQMVRRCBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8-9(2)19-21-15(8)18-14(20)11-7-13(16)17-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide?
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 65486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).