1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea

C15H17N3O2S — CID 167836217

IUPAC1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H17N3O2S/c19-14-7-6-11-12(17-14)4-1-5-13(11)18-15(20)16-9-10-3-2-8-21-10/h2-3,6-8,13H,1,4-5,9H2,(H,17,19)(H2,16,18,20)
InChIKeyFIKZKOIUFWDAAD-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.31
Rot. Bonds3

About 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea

1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 167836217) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea
PubChem CID167836217
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H17N3O2S/c19-14-7-6-11-12(17-14)4-1-5-13(11)18-15(20)16-9-10-3-2-8-21-10/h2-3,6-8,13H,1,4-5,9H2,(H,17,19)(H2,16,18,20)
InChIKeyFIKZKOIUFWDAAD-UHFFFAOYSA-N
XLogP2.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea with MolForge

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Related Compounds

1-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-3-(2-pyridin-2-ylethyl)urea
CID 94150130
3,3-dicyclopropyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)propanamide
CID 48591784
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95596132
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
2-(2-chlorophenyl)-2-methyl-N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]propanamide
CID 95313899
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide
CID 81107697
5-(cyclohexylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108121
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea (CID 167836217) is 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is FIKZKOIUFWDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14-7-6-11-12(17-14)4-1-5-13(11)18-15(20)16-9-10-3-2-8-21-10/h2-3,6-8,13H,1,4-5,9H2,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea?
1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 303.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 167836217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).