6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide

C19H14ClN3O2 — CID 37040651

IUPAC6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4cc(Cl)ccc4nc3C)ccc2o1
InChIInChI=1S/C19H14ClN3O2/c1-10-15(8-12-7-13(20)3-5-16(12)21-10)19(24)23-14-4-6-18-17(9-14)22-11(2)25-18/h3-9H,1-2H3,(H,23,24)
InChIKeyHVBHGWCBVVCSHG-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.90
Rot. Bonds2

About 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide

6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide (PubChem CID 37040651) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
PubChem CID37040651
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4cc(Cl)ccc4nc3C)ccc2o1
InChIInChI=1S/C19H14ClN3O2/c1-10-15(8-12-7-13(20)3-5-16(12)21-10)19(24)23-14-4-6-18-17(9-14)22-11(2)25-18/h3-9H,1-2H3,(H,23,24)
InChIKeyHVBHGWCBVVCSHG-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39677997
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide (CID 37040651) is 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide is Cc1nc2cc(NC(=O)c3cc4cc(Cl)ccc4nc3C)ccc2o1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide?
The InChIKey is HVBHGWCBVVCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-10-15(8-12-7-13(20)3-5-16(12)21-10)19(24)23-14-4-6-18-17(9-14)22-11(2)25-18/h3-9H,1-2H3,(H,23,24).
What are the key properties of 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide?
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 37040651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).