N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide

C19H22N4OS — CID 70741075

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2csc(N(C)C)n2)c2ccc(C)c(C)c2n1
InChIInChI=1S/C19H22N4OS/c1-11-6-7-15-16(8-12(2)21-17(15)13(11)3)18(24)20-9-14-10-25-19(22-14)23(4)5/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyXDGFVWVORXNXLP-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.61
Rot. Bonds4

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide (PubChem CID 70741075) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
PubChem CID70741075
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2csc(N(C)C)n2)c2ccc(C)c(C)c2n1
InChIInChI=1S/C19H22N4OS/c1-11-6-7-15-16(8-12(2)21-17(15)13(11)3)18(24)20-9-14-10-25-19(22-14)23(4)5/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyXDGFVWVORXNXLP-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide (CID 70741075) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide is Cc1cc(C(=O)NCc2csc(N(C)C)n2)c2ccc(C)c(C)c2n1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide?
The InChIKey is XDGFVWVORXNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-11-6-7-15-16(8-12(2)21-17(15)13(11)3)18(24)20-9-14-10-25-19(22-14)23(4)5/h6-8,10H,9H2,1-5H3,(H,20,24).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 70741075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).