7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine

C25H26ClFN4 — CID 46937455

IUPAC7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(-c2ccc(F)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H26ClFN4/c1-4-30(5-2)16-19-14-25(18-6-9-21(27)10-7-18)31(17(19)3)29-23-12-13-28-24-15-20(26)8-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29)
InChIKeySPRXXQWZRYCDFI-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.52
Rot. Bonds7

About 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine

7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine (PubChem CID 46937455) has the molecular formula C25H26ClFN4 and a molecular weight of 436.96 g/mol. Its IUPAC name is 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine
PubChem CID46937455
Molecular FormulaC25H26ClFN4
Molecular Weight436.96 g/mol
Exact Mass436.18
IUPAC Name7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(-c2ccc(F)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H26ClFN4/c1-4-30(5-2)16-19-14-25(18-6-9-21(27)10-7-18)31(17(19)3)29-23-12-13-28-24-15-20(26)8-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29)
InChIKeySPRXXQWZRYCDFI-UHFFFAOYSA-N
XLogP6.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine (CID 46937455) is 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine is CCN(CC)Cc1cc(-c2ccc(F)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C.
What is the InChIKey of 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is SPRXXQWZRYCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4/c1-4-30(5-2)16-19-14-25(18-6-9-21(27)10-7-18)31(17(19)3)29-23-12-13-28-24-15-20(26)8-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29).
What are the key properties of 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 436.96 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(diethylaminomethyl)-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 46937455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).