1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea

C18H16ClF2N3O2S — CID 60553928

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C18H16ClF2N3O2S/c1-2-24(10-11-5-8-15(19)27-11)18(25)23-13-6-7-14(26-17(20)21)16-12(13)4-3-9-22-16/h3-9,17H,2,10H2,1H3,(H,23,25)
InChIKeyDBZCOBQDNTTYRO-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.61
Rot. Bonds6

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea

1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea (PubChem CID 60553928) has the molecular formula C18H16ClF2N3O2S and a molecular weight of 411.86 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
PubChem CID60553928
Molecular FormulaC18H16ClF2N3O2S
Molecular Weight411.86 g/mol
Exact Mass411.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C18H16ClF2N3O2S/c1-2-24(10-11-5-8-15(19)27-11)18(25)23-13-6-7-14(26-17(20)21)16-12(13)4-3-9-22-16/h3-9,17H,2,10H2,1H3,(H,23,25)
InChIKeyDBZCOBQDNTTYRO-UHFFFAOYSA-N
XLogP5.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
CID 56557090
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
3-(5-bromo-2-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 60562828
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577691
3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
CID 118763585
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
1-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-3-(pyridin-3-ylmethyl)urea
CID 47125820
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100777551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea (CID 60553928) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea is CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC(F)F)c2ncccc12.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea?
The InChIKey is DBZCOBQDNTTYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2S/c1-2-24(10-11-5-8-15(19)27-11)18(25)23-13-6-7-14(26-17(20)21)16-12(13)4-3-9-22-16/h3-9,17H,2,10H2,1H3,(H,23,25).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea?
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea has a molecular weight of 411.86 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea is sourced from PubChem (CID 60553928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).