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

C25H26Cl2N4 — CID 44568687

IUPAC7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(-c2ccc(Cl)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H26Cl2N4/c1-4-30(5-2)16-19-14-25(18-6-8-20(26)9-7-18)31(17(19)3)29-23-12-13-28-24-15-21(27)10-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29)
InChIKeyFKGDLPDBLDRPIR-UHFFFAOYSA-N
MW453.42 g/mol
LogP7.04
Rot. Bonds7

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

7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine (PubChem CID 44568687) has the molecular formula C25H26Cl2N4 and a molecular weight of 453.42 g/mol. Its IUPAC name is 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
PubChem CID44568687
Molecular FormulaC25H26Cl2N4
Molecular Weight453.42 g/mol
Exact Mass452.15
IUPAC Name7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(-c2ccc(Cl)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C25H26Cl2N4/c1-4-30(5-2)16-19-14-25(18-6-8-20(26)9-7-18)31(17(19)3)29-23-12-13-28-24-15-21(27)10-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29)
InChIKeyFKGDLPDBLDRPIR-UHFFFAOYSA-N
XLogP7.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
CID 16719030
7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 174570186
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
2-(4-chlorophenyl)sulfanyl-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
CID 547239
7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
CID 71717162
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide
CID 118735280
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol;phosphoric acid
CID 54599799
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine (CID 44568687) is 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine is CCN(CC)Cc1cc(-c2ccc(Cl)cc2)n(Nc2ccnc3cc(Cl)ccc23)c1C.
What is the InChIKey of 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is FKGDLPDBLDRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4/c1-4-30(5-2)16-19-14-25(18-6-8-20(26)9-7-18)31(17(19)3)29-23-12-13-28-24-15-21(27)10-11-22(23)24/h6-15H,4-5,16H2,1-3H3,(H,28,29).
What are the key properties of 7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 453.42 g/mol, XLogP of 7.04, 7 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-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 44568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).