7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine

C25H24ClFN4 — CID 46937456

IUPAC7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1c(CN2CCCC2)cc(-c2ccc(F)cc2)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H24ClFN4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-7-21(27)8-5-18)31(17)29-23-10-11-28-24-15-20(26)6-9-22(23)24/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,28,29)
InChIKeyMHMTYYBTXYYSJV-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.28
Rot. Bonds5

About 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine

7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (PubChem CID 46937456) has the molecular formula C25H24ClFN4 and a molecular weight of 434.95 g/mol. Its IUPAC name is 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
PubChem CID46937456
Molecular FormulaC25H24ClFN4
Molecular Weight434.95 g/mol
Exact Mass434.17
IUPAC Name7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1c(CN2CCCC2)cc(-c2ccc(F)cc2)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H24ClFN4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-7-21(27)8-5-18)31(17)29-23-10-11-28-24-15-20(26)6-9-22(23)24/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,28,29)
InChIKeyMHMTYYBTXYYSJV-UHFFFAOYSA-N
XLogP6.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sontoquine
CID 66553
7-Chloro-4-hydrazinylquinoline
CID 32109
Quinoline, 7-chloro-4-((4-(diethylamino)cyclohexyl)amino)-
CID 208605
7-chloro-N-(5-(pyrrolidin-1-yl)pentan-2-yl)quinolin-4-amine
CID 220624
4-Quinolinamine, 7-chloro-N-[3-[[(1,1-dimethylethyl)amino]methyl]-4-fluorophenyl]-
CID 9820134
N-[[4-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloro-quinolin-4-amine
CID 44819634
7-chloro-N-[[3-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44820000
Desmethylchloroquine
CID 3811576
N-benzyl-7-chloroquinolin-4-amine
CID 4798096
4'-Dehydroxy-4'-fluoroamodiaquine
CID 9975633
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloro-quinolin-4-amine
CID 44819633
7-chloro-N-[[3-[[(4-chlorophenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819803

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (CID 46937456) is 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is Cc1c(CN2CCCC2)cc(-c2ccc(F)cc2)n1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The InChIKey is MHMTYYBTXYYSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-7-21(27)8-5-18)31(17)29-23-10-11-28-24-15-20(26)6-9-22(23)24/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,28,29).
What are the key properties of 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine has a molecular weight of 434.95 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 46937456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).