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

C25H24Cl2N4 — CID 44568688

IUPAC7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H24Cl2N4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-6-20(26)7-5-18)31(17)29-23-10-11-28-24-15-21(27)8-9-22(23)24/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,28,29)
InChIKeyHHRUDLQQSYMJJR-UHFFFAOYSA-N
MW451.40 g/mol
LogP6.79
Rot. Bonds5

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

7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (PubChem CID 44568688) has the molecular formula C25H24Cl2N4 and a molecular weight of 451.40 g/mol. Its IUPAC name is 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
PubChem CID44568688
Molecular FormulaC25H24Cl2N4
Molecular Weight451.40 g/mol
Exact Mass450.14
IUPAC Name7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H24Cl2N4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-6-20(26)7-5-18)31(17)29-23-10-11-28-24-15-21(27)8-9-22(23)24/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,28,29)
InChIKeyHHRUDLQQSYMJJR-UHFFFAOYSA-N
XLogP6.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (CID 44568688) is 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The InChIKey is HHRUDLQQSYMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4/c1-17-19(16-30-12-2-3-13-30)14-25(18-4-6-20(26)7-5-18)31(17)29-23-10-11-28-24-15-21(27)8-9-22(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-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine has a molecular weight of 451.40 g/mol, XLogP of 6.79, 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-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 44568688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).