4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine

C15H14ClN3S — CID 83060731

IUPAC4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3S/c1-9(13-5-6-14(16)20-13)19-12-7-8-18-15-10(12)3-2-4-11(15)17/h2-9H,17H2,1H3,(H,18,19)
InChIKeyFOPSONQXUCDRPP-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.70
Rot. Bonds3

About 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine

4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine (PubChem CID 83060731) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
PubChem CID83060731
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN3S/c1-9(13-5-6-14(16)20-13)19-12-7-8-18-15-10(12)3-2-4-11(15)17/h2-9H,17H2,1H3,(H,18,19)
InChIKeyFOPSONQXUCDRPP-UHFFFAOYSA-N
XLogP4.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrazine-2,5-diamine
CID 80653466
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
CID 83060583
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
CID 106538035

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine (CID 83060731) is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine is CC(Nc1ccnc2c(N)cccc12)c1ccc(Cl)s1.
What is the InChIKey of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine?
The InChIKey is FOPSONQXUCDRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9(13-5-6-14(16)20-13)19-12-7-8-18-15-10(12)3-2-4-11(15)17/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine?
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine has a molecular weight of 303.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 83060731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).