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

C19H20ClN3S — CID 71454606

IUPAC7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3ccc(CN4CCCC4)s3)ccnc2c1
InChIInChI=1S/C19H20ClN3S/c20-14-3-6-17-18(7-8-21-19(17)11-14)22-12-15-4-5-16(24-15)13-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,21,22)
InChIKeyKTGYATOKXDVHDU-UHFFFAOYSA-N
MW357.91 g/mol
LogP5.16
Rot. Bonds5

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

7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine (PubChem CID 71454606) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine
PubChem CID71454606
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC Name7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3ccc(CN4CCCC4)s3)ccnc2c1
InChIInChI=1S/C19H20ClN3S/c20-14-3-6-17-18(7-8-21-19(17)11-14)22-12-15-4-5-16(24-15)13-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,21,22)
InChIKeyKTGYATOKXDVHDU-UHFFFAOYSA-N
XLogP5.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.91
LogP ≤ 55.16
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-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine (CID 71454606) is 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3ccc(CN4CCCC4)s3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine?
The InChIKey is KTGYATOKXDVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S/c20-14-3-6-17-18(7-8-21-19(17)11-14)22-12-15-4-5-16(24-15)13-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,21,22).
What are the key properties of 7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine has a molecular weight of 357.91 g/mol, XLogP of 5.16, 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-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71454606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).