1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea

C19H17F2N3O2 — CID 167899859

IUPAC1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea
SMILESCC(F)(F)c1ccc(CNC(=O)Nc2cccc3ccc(=O)[nH]c23)cc1
InChIInChI=1S/C19H17F2N3O2/c1-19(20,21)14-8-5-12(6-9-14)11-22-18(26)23-15-4-2-3-13-7-10-16(25)24-17(13)15/h2-10H,11H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYRAUIMHDQAHKJM-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea

1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea (PubChem CID 167899859) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea.

Molecular Properties

Compound Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea
PubChem CID167899859
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea
SMILESCC(F)(F)c1ccc(CNC(=O)Nc2cccc3ccc(=O)[nH]c23)cc1
InChIInChI=1S/C19H17F2N3O2/c1-19(20,21)14-8-5-12(6-9-14)11-22-18(26)23-15-4-2-3-13-7-10-16(25)24-17(13)15/h2-10H,11H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYRAUIMHDQAHKJM-UHFFFAOYSA-N
XLogP3.96
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
CID 10172203
1-[(4-tert-butylphenyl)methyl]-3-(3-methylisoquinolin-5-yl)urea
CID 11725268
1-(1,3-benzothiazol-7-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11371577
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 167753162
4-(aminomethyl)-N,N-dimethylaniline;1-[[4-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
CID 67460141
1-(2,3-dihydro-1-benzofuran-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 11209886
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 146131432
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea?
The IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea (CID 167899859) is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea.
What is the SMILES notation for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea?
The canonical SMILES for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea is CC(F)(F)c1ccc(CNC(=O)Nc2cccc3ccc(=O)[nH]c23)cc1.
What is the InChIKey of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea?
The InChIKey is YRAUIMHDQAHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-19(20,21)14-8-5-12(6-9-14)11-22-18(26)23-15-4-2-3-13-7-10-16(25)24-17(13)15/h2-10H,11H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea?
1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea has a molecular weight of 357.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-(2-oxo-1H-quinolin-8-yl)urea is sourced from PubChem (CID 167899859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).