1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea

C17H19N3O2S — CID 30372226

IUPAC1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea
SMILESCCC(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21
InChIInChI=1S/C17H19N3O2S/c1-2-16(21)20-9-3-5-12-7-8-13(11-14(12)20)18-17(22)19-15-6-4-10-23-15/h4,6-8,10-11H,2-3,5,9H2,1H3,(H2,18,19,22)
InChIKeyRLPPFLZIAFYMKI-UHFFFAOYSA-N
MW329.43 g/mol
LogP4.08
Rot. Bonds3

About 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea

1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea (PubChem CID 30372226) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea
PubChem CID30372226
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea
SMILESCCC(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21
InChIInChI=1S/C17H19N3O2S/c1-2-16(21)20-9-3-5-12-7-8-13(11-14(12)20)18-17(22)19-15-6-4-10-23-15/h4,6-8,10-11H,2-3,5,9H2,1H3,(H2,18,19,22)
InChIKeyRLPPFLZIAFYMKI-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-thiophen-2-ylurea
CID 30372816
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-thiophen-2-ylurea
CID 30376060
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
3,4,5-triethoxy-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27604624
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169337813
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721

Frequently Asked Questions

What is the IUPAC name of 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea (CID 30372226) is 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea is CCC(=O)N1CCCc2ccc(NC(=O)Nc3cccs3)cc21.
What is the InChIKey of 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea?
The InChIKey is RLPPFLZIAFYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-16(21)20-9-3-5-12-7-8-13(11-14(12)20)18-17(22)19-15-6-4-10-23-15/h4,6-8,10-11H,2-3,5,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea?
1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea has a molecular weight of 329.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 30372226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).