1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

C19H15N5OS — CID 122276944

IUPAC1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H15N5OS/c25-19(24-15-3-4-16-13(10-15)2-1-6-20-16)23-11-17-18(22-8-7-21-17)14-5-9-26-12-14/h1-10,12H,11H2,(H2,23,24,25)
InChIKeyAHZAJRDXOUQZDL-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.07
Rot. Bonds4

About 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (PubChem CID 122276944) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
PubChem CID122276944
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H15N5OS/c25-19(24-15-3-4-16-13(10-15)2-1-6-20-16)23-11-17-18(22-8-7-21-17)14-5-9-26-12-14/h1-10,12H,11H2,(H2,23,24,25)
InChIKeyAHZAJRDXOUQZDL-UHFFFAOYSA-N
XLogP4.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
1-(1,3-benzodioxol-5-yl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276988
1-(4-butoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162318
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
1-cycloheptyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276998
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
1-(1-adamantyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122246182
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (CID 122276944) is 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is O=C(NCc1nccnc1-c1ccsc1)Nc1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The InChIKey is AHZAJRDXOUQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-19(24-15-3-4-16-13(10-15)2-1-6-20-16)23-11-17-18(22-8-7-21-17)14-5-9-26-12-14/h1-10,12H,11H2,(H2,23,24,25).
What are the key properties of 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea has a molecular weight of 361.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122276944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).