4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine

C52H64Cl2F2N8 — CID 162001444

IUPAC4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine
SMILESCc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12.Cc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/2C26H32ClFN4/c2*1-17-22(28)10-9-21-23(32-13-11-20(12-14-32)31-26(2,3)4)15-24(30-25(17)21)29-16-18-5-7-19(27)8-6-18/h2*5-10,15,20,31H,11-14,16H2,1-4H3,(H,29,30)
InChIKeyYSGQUGBPTXLHNU-UHFFFAOYSA-N
MW910.04 g/mol
LogP12.61
Rot. Bonds10

About 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine

4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine (PubChem CID 162001444) has the molecular formula C52H64Cl2F2N8 and a molecular weight of 910.04 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine.

Molecular Properties

Compound Name4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine
PubChem CID162001444
Molecular FormulaC52H64Cl2F2N8
Molecular Weight910.04 g/mol
Exact Mass908.46
IUPAC Name4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine
SMILESCc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12.Cc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/2C26H32ClFN4/c2*1-17-22(28)10-9-21-23(32-13-11-20(12-14-32)31-26(2,3)4)15-24(30-25(17)21)29-16-18-5-7-19(27)8-6-18/h2*5-10,15,20,31H,11-14,16H2,1-4H3,(H,29,30)
InChIKeyYSGQUGBPTXLHNU-UHFFFAOYSA-N
XLogP12.61
TPSA80.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.04
LogP ≤ 512.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine with MolForge

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Related Compounds

4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
CID 146441023
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine;hydrochloride
CID 121305179
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
CID 146441064
4-[[[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]amino]methyl]phenol
CID 158845027
N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
CID 86273574
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinoline-3-carbonitrile;ethane
CID 145396540
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-4-chlorobenzamide;N-tert-butylpiperidin-4-amine;4-chloro-N-(4-chloroquinolin-2-yl)benzamide
CID 159328751
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
CID 177249429
1-[4-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914975

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine?
The IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine (CID 162001444) is 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine.
What is the SMILES notation for 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine?
The canonical SMILES for 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine is Cc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12.Cc1c(F)ccc2c(N3CCC(NC(C)(C)C)CC3)cc(NCc3ccc(Cl)cc3)nc12.
What is the InChIKey of 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine?
The InChIKey is YSGQUGBPTXLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H32ClFN4/c2*1-17-22(28)10-9-21-23(32-13-11-20(12-14-32)31-26(2,3)4)15-24(30-25(17)21)29-16-18-5-7-19(27)8-6-18/h2*5-10,15,20,31H,11-14,16H2,1-4H3,(H,29,30).
What are the key properties of 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine?
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine has a molecular weight of 910.04 g/mol, XLogP of 12.61, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine is sourced from PubChem (CID 162001444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).