1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C17H19N3O2S — CID 94152809

IUPAC1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@H](NC(=O)NCc1cccs1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H19N3O2S/c1-11(19-17(22)18-10-14-3-2-8-23-14)12-4-6-15-13(9-12)5-7-16(21)20-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyZZGAIHSETGRYLC-NSHDSACASA-N
MW329.43 g/mol
LogP3.19
Rot. Bonds4

About 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 94152809) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID94152809
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@H](NC(=O)NCc1cccs1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H19N3O2S/c1-11(19-17(22)18-10-14-3-2-8-23-14)12-4-6-15-13(9-12)5-7-16(21)20-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1
InChIKeyZZGAIHSETGRYLC-NSHDSACASA-N
XLogP3.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea with MolForge

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94077981
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120154
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51118082
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
1-(2-adamantyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 112832137
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119729826
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 94152809) is 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is C[C@H](NC(=O)NCc1cccs1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZZGAIHSETGRYLC-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(19-17(22)18-10-14-3-2-8-23-14)12-4-6-15-13(9-12)5-7-16(21)20-15/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,20,21)(H2,18,19,22)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 94152809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).