4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide

C22H23ClN2O — CID 43860369

IUPAC4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C22H23ClN2O/c1-13-12-19(17-10-11-18(23)14(2)20(17)24-13)25-21(26)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3,(H,24,25,26)
InChIKeyFTWTXISMNQEMOJ-UHFFFAOYSA-N
MW366.89 g/mol
LogP6.05
Rot. Bonds2

About 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide

4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide (PubChem CID 43860369) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
PubChem CID43860369
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C22H23ClN2O/c1-13-12-19(17-10-11-18(23)14(2)20(17)24-13)25-21(26)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3,(H,24,25,26)
InChIKeyFTWTXISMNQEMOJ-UHFFFAOYSA-N
XLogP6.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
CID 43860367
N-(7-chloro-2,8-dimethylquinolin-4-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 43860381
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775
4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308049
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308068
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide (CID 43860369) is 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)c(C)c2n1.
What is the InChIKey of 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide?
The InChIKey is FTWTXISMNQEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-13-12-19(17-10-11-18(23)14(2)20(17)24-13)25-21(26)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3,(H,24,25,26).
What are the key properties of 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide?
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide has a molecular weight of 366.89 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide is sourced from PubChem (CID 43860369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).