1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea

C19H18FN3O2 — CID 111104482

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(O)c3ccccc3F)c2n1
InChIInChI=1S/C19H18FN3O2/c1-12-9-10-13-5-4-8-16(18(13)22-12)23-19(25)21-11-17(24)14-6-2-3-7-15(14)20/h2-10,17,24H,11H2,1H3,(H2,21,23,25)
InChIKeyOLNXQAHCZPZNQO-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea (PubChem CID 111104482) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
PubChem CID111104482
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(O)c3ccccc3F)c2n1
InChIInChI=1S/C19H18FN3O2/c1-12-9-10-13-5-4-8-16(18(13)22-12)23-19(25)21-11-17(24)14-6-2-3-7-15(14)20/h2-10,17,24H,11H2,1H3,(H2,21,23,25)
InChIKeyOLNXQAHCZPZNQO-UHFFFAOYSA-N
XLogP3.54
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431668
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
1-(4-chloro-2-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75876611
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea (CID 111104482) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea is Cc1ccc2cccc(NC(=O)NCC(O)c3ccccc3F)c2n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea?
The InChIKey is OLNXQAHCZPZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-9-10-13-5-4-8-16(18(13)22-12)23-19(25)21-11-17(24)14-6-2-3-7-15(14)20/h2-10,17,24H,11H2,1H3,(H2,21,23,25).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea has a molecular weight of 339.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea is sourced from PubChem (CID 111104482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).