N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine

C17H13N3S — CID 78980805

IUPACN-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESc1cnc2c(CNc3nccc4sccc34)cccc2c1
InChIInChI=1S/C17H13N3S/c1-3-12-5-2-8-18-16(12)13(4-1)11-20-17-14-7-10-21-15(14)6-9-19-17/h1-10H,11H2,(H,19,20)
InChIKeyBBGWIJRTTDVFHY-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.46
Rot. Bonds3

About N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine

N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 78980805) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID78980805
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC NameN-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESc1cnc2c(CNc3nccc4sccc34)cccc2c1
InChIInChI=1S/C17H13N3S/c1-3-12-5-2-8-18-16(12)13(4-1)11-20-17-14-7-10-21-15(14)6-9-19-17/h1-10H,11H2,(H,19,20)
InChIKeyBBGWIJRTTDVFHY-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 79492609
N-(quinolin-8-ylmethyl)aniline
CID 28610045
N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 62501996
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
CID 81435677
2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
CID 81426142
5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81435682
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine (CID 78980805) is N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine is c1cnc2c(CNc3nccc4sccc34)cccc2c1.
What is the InChIKey of N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is BBGWIJRTTDVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-3-12-5-2-8-18-16(12)13(4-1)11-20-17-14-7-10-21-15(14)6-9-19-17/h1-10H,11H2,(H,19,20).
What are the key properties of N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine?
N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 78980805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).