4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine

C14H12ClN3S — CID 103001265

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(Cl)s3)ccnc2c1
InChIInChI=1S/C14H12ClN3S/c15-14-4-2-10(19-14)8-18-12-5-6-17-13-7-9(16)1-3-11(12)13/h1-7H,8,16H2,(H,17,18)
InChIKeyVOQGIWUAAABXSO-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.14
Rot. Bonds3

About 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine

4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine (PubChem CID 103001265) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
PubChem CID103001265
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(Cl)s3)ccnc2c1
InChIInChI=1S/C14H12ClN3S/c15-14-4-2-10(19-14)8-18-12-5-6-17-13-7-9(16)1-3-11(12)13/h1-7H,8,16H2,(H,17,18)
InChIKeyVOQGIWUAAABXSO-UHFFFAOYSA-N
XLogP4.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.14
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

4-N-[(5-chlorothiophen-2-yl)methyl]quinazoline-4,6-diamine
CID 64589914
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001503
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride
CID 47016699
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
CID 79839873
4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
CID 103000881
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine (CID 103001265) is 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine is Nc1ccc2c(NCc3ccc(Cl)s3)ccnc2c1.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine?
The InChIKey is VOQGIWUAAABXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c15-14-4-2-10(19-14)8-18-12-5-6-17-13-7-9(16)1-3-11(12)13/h1-7H,8,16H2,(H,17,18).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine has a molecular weight of 289.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).