N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide

C21H25ClN2O — CID 24952105

IUPACN-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cc(Cl)cc3c2NCCC3)cc1
InChIInChI=1S/C21H25ClN2O/c1-21(2,3)16-8-6-14(7-9-16)13-24-20(25)18-12-17(22)11-15-5-4-10-23-19(15)18/h6-9,11-12,23H,4-5,10,13H2,1-3H3,(H,24,25)
InChIKeyKITMMEDTXXLXAB-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.93
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 24952105) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID24952105
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cc(Cl)cc3c2NCCC3)cc1
InChIInChI=1S/C21H25ClN2O/c1-21(2,3)16-8-6-14(7-9-16)13-24-20(25)18-12-17(22)11-15-5-4-10-23-19(15)18/h6-9,11-12,23H,4-5,10,13H2,1-3H3,(H,24,25)
InChIKeyKITMMEDTXXLXAB-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 110166198
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
CID 69058380
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 120983080
1,2,3,4-tetrahydroquinolin-8-yl N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]carbamate;hydrochloride
CID 66788973

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 24952105) is N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2cc(Cl)cc3c2NCCC3)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is KITMMEDTXXLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-21(2,3)16-8-6-14(7-9-16)13-24-20(25)18-12-17(22)11-15-5-4-10-23-19(15)18/h6-9,11-12,23H,4-5,10,13H2,1-3H3,(H,24,25).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-6-chloro-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 24952105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).