N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine

C16H16N2S — CID 65244096

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
SMILESCc1cc(CNc2ccc3ccccc3n2)sc1C
InChIInChI=1S/C16H16N2S/c1-11-9-14(19-12(11)2)10-17-16-8-7-13-5-3-4-6-15(13)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyQFLKPGHMYZEOES-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.53
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine (PubChem CID 65244096) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
PubChem CID65244096
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
SMILESCc1cc(CNc2ccc3ccccc3n2)sc1C
InChIInChI=1S/C16H16N2S/c1-11-9-14(19-12(11)2)10-17-16-8-7-13-5-3-4-6-15(13)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyQFLKPGHMYZEOES-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4,5-dimethylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 65246656
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 65246368
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
2-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80842747
3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540489
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
CID 103883776
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine (CID 65244096) is N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine is Cc1cc(CNc2ccc3ccccc3n2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine?
The InChIKey is QFLKPGHMYZEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-9-14(19-12(11)2)10-17-16-8-7-13-5-3-4-6-15(13)18-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 65244096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).