6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile

C15H12N4OS — CID 91953514

IUPAC6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(NCc3nccs3)c2c1
InChIInChI=1S/C15H12N4OS/c1-20-11-2-3-13-12(6-11)15(10(7-16)8-18-13)19-9-14-17-4-5-21-14/h2-6,8H,9H2,1H3,(H,18,19)
InChIKeyWXSAJINTRVEXFR-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.18
Rot. Bonds4

About 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile

6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile (PubChem CID 91953514) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
PubChem CID91953514
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(NCc3nccs3)c2c1
InChIInChI=1S/C15H12N4OS/c1-20-11-2-3-13-12(6-11)15(10(7-16)8-18-13)19-9-14-17-4-5-21-14/h2-6,8H,9H2,1H3,(H,18,19)
InChIKeyWXSAJINTRVEXFR-UHFFFAOYSA-N
XLogP3.18
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
4-[[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]amino]-6-methoxyquinoline-3-carbonitrile
CID 91953518
4-(1,3-benzodioxol-5-ylmethylamino)-6-ethoxyquinoline-3-carbonitrile
CID 50768588
4-[(3-methylthiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 79033709
4-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylamino]-6-methoxyquinoline-3-carbonitrile
CID 91953496

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile (CID 91953514) is 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(NCc3nccs3)c2c1.
What is the InChIKey of 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile?
The InChIKey is WXSAJINTRVEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-20-11-2-3-13-12(6-11)15(10(7-16)8-18-13)19-9-14-17-4-5-21-14/h2-6,8H,9H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile?
6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile has a molecular weight of 296.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 91953514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).