1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea

C17H20N4O2S — CID 97059749

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
SMILESCCc1nc(CNC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cs1
InChIInChI=1S/C17H20N4O2S/c1-2-16-20-12(10-24-16)9-19-17(23)18-8-11-7-15(22)21-14-6-4-3-5-13(11)14/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,18,19,23)/t11-/m0/s1
InChIKeyFTOXDIADYYNVLA-NSHDSACASA-N
MW344.44 g/mol
LogP2.63
Rot. Bonds5

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea (PubChem CID 97059749) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
PubChem CID97059749
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
SMILESCCc1nc(CNC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cs1
InChIInChI=1S/C17H20N4O2S/c1-2-16-20-12(10-24-16)9-19-17(23)18-8-11-7-15(22)21-14-6-4-3-5-13(11)14/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,18,19,23)/t11-/m0/s1
InChIKeyFTOXDIADYYNVLA-NSHDSACASA-N
XLogP2.63
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844
(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94171644
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946265
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]cyclobutane-1-carboxamide
CID 166355069
1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
CID 75376851
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 86780927
2-oxo-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 154749870
4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 84588587
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
CID 71875471
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97221600
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99955784

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea (CID 97059749) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea is CCc1nc(CNC(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The InChIKey is FTOXDIADYYNVLA-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-16-20-12(10-24-16)9-19-17(23)18-8-11-7-15(22)21-14-6-4-3-5-13(11)14/h3-6,10-11H,2,7-9H2,1H3,(H,21,22)(H2,18,19,23)/t11-/m0/s1.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea has a molecular weight of 344.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea is sourced from PubChem (CID 97059749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).