N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide

C15H17ClN2O — CID 53016160

IUPACN-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyRNEZSIUHNQXDPR-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.72
Rot. Bonds3

About N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide

N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide (PubChem CID 53016160) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
PubChem CID53016160
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyRNEZSIUHNQXDPR-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-amino-N-butan-2-yl-2-methylquinoline-4-carboxamide
CID 110489357
8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 133132370
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
CID 53016674
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 77080512
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide (CID 53016160) is N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc2c(Cl)cccc12.
What is the InChIKey of N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide?
The InChIKey is RNEZSIUHNQXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-9(2)18-15(19)12-8-10(3)17-14-11(12)6-5-7-13(14)16/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide?
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 53016160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).