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

C20H23ClN4 — CID 16718996

IUPAC7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1cc(CN2CCCC2)c(C)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H23ClN4/c1-14-11-16(13-24-9-3-4-10-24)15(2)25(14)23-19-7-8-22-20-12-17(21)5-6-18(19)20/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMURFQFOMMRDIIU-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.78
Rot. Bonds4

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

7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (PubChem CID 16718996) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
PubChem CID16718996
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
SMILESCc1cc(CN2CCCC2)c(C)n1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H23ClN4/c1-14-11-16(13-24-9-3-4-10-24)15(2)25(14)23-19-7-8-22-20-12-17(21)5-6-18(19)20/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,23)
InChIKeyMURFQFOMMRDIIU-UHFFFAOYSA-N
XLogP4.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroquine
CID 2719
(+-)-Desethylchloroquine
CID 95478
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Sontoquine
CID 66553
Ro 41-3118
CID 408190
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627
(-)-Chloroquine
CID 444810
(+)-Chloroquine
CID 639540
7-Chloro-4-hydrazinylquinoline
CID 32109
4-amino-7-chloroquinoline (ACQ)-based compound, 6
CID 221208
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine (CID 16718996) is 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is Cc1cc(CN2CCCC2)c(C)n1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
The InChIKey is MURFQFOMMRDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-14-11-16(13-24-9-3-4-10-24)15(2)25(14)23-19-7-8-22-20-12-17(21)5-6-18(19)20/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,23).
What are the key properties of 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine has a molecular weight of 354.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2,5-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 16718996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).