8-tert-butyl-N-methylquinoline-2-carboxamide

C15H18N2O — CID 155427304

IUPAC8-tert-butyl-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1ccc2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-7-5-6-10-8-9-12(14(18)16-4)17-13(10)11/h5-9H,1-4H3,(H,16,18)
InChIKeyNLEWGTJHEJBOSS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.89
Rot. Bonds1

About 8-tert-butyl-N-methylquinoline-2-carboxamide

8-tert-butyl-N-methylquinoline-2-carboxamide (PubChem CID 155427304) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 8-tert-butyl-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-methylquinoline-2-carboxamide
PubChem CID155427304
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name8-tert-butyl-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1ccc2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C15H18N2O/c1-15(2,3)11-7-5-6-10-8-9-12(14(18)16-4)17-13(10)11/h5-9H,1-4H3,(H,16,18)
InChIKeyNLEWGTJHEJBOSS-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-8-nitroquinoline-2-carboxamide
CID 70694486
2-(2-methylbutan-2-yl)-N-[3-methyl-3-[2-(methylcarbamoyl)quinolin-8-yl]butyl]-1,3-benzoxazole-4-carboxamide
CID 138655211
2-tert-butyl-6-fluoro-N-methylbenzamide
CID 71273490
8-iodo-N-methyl-1,6-naphthyridine-2-carboxamide
CID 118669701
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
8-tert-butyl-4-methylquinoline-2-carboxamide
CID 82574016
1-(8-hydroxyquinolin-2-yl)ethanone
CID 19067452
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
CID 50981969
5-amino-6-methoxy-N-methylpyridine-2-carboxamide
CID 86726461
8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 99926856

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-methylquinoline-2-carboxamide?
The IUPAC name of 8-tert-butyl-N-methylquinoline-2-carboxamide (CID 155427304) is 8-tert-butyl-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 8-tert-butyl-N-methylquinoline-2-carboxamide?
The canonical SMILES for 8-tert-butyl-N-methylquinoline-2-carboxamide is CNC(=O)c1ccc2cccc(C(C)(C)C)c2n1.
What is the InChIKey of 8-tert-butyl-N-methylquinoline-2-carboxamide?
The InChIKey is NLEWGTJHEJBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2,3)11-7-5-6-10-8-9-12(14(18)16-4)17-13(10)11/h5-9H,1-4H3,(H,16,18).
What are the key properties of 8-tert-butyl-N-methylquinoline-2-carboxamide?
8-tert-butyl-N-methylquinoline-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 155427304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).