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

C20H25ClN4 — CID 16718997

IUPAC7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C20H25ClN4/c1-5-24(6-2)13-16-11-14(3)25(15(16)4)23-19-9-10-22-20-12-17(21)7-8-18(19)20/h7-12H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyZCQJAXOTYHZSHR-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.02
Rot. Bonds6

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

7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine (PubChem CID 16718997) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
PubChem CID16718997
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1C
InChIInChI=1S/C20H25ClN4/c1-5-24(6-2)13-16-11-14(3)25(15(16)4)23-19-9-10-22-20-12-17(21)7-8-18(19)20/h7-12H,5-6,13H2,1-4H3,(H,22,23)
InChIKeyZCQJAXOTYHZSHR-UHFFFAOYSA-N
XLogP5.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine (CID 16718997) is 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine is CCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1C.
What is the InChIKey of 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is ZCQJAXOTYHZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4/c1-5-24(6-2)13-16-11-14(3)25(15(16)4)23-19-9-10-22-20-12-17(21)7-8-18(19)20/h7-12H,5-6,13H2,1-4H3,(H,22,23).
What are the key properties of 7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 356.90 g/mol, XLogP of 5.02, 6 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)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 16718997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).