[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

C18H17ClFN3O2 — CID 170702569

IUPAC[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2cccc(Cc3cc(F)ccc3Cl)c21
InChIInChI=1S/C18H17ClFN3O2/c1-23-16-10(7-12-8-13(20)5-6-14(12)19)3-2-4-11(16)9-15(17(23)24)22-18(21)25/h2-6,8,15H,7,9H2,1H3,(H3,21,22,25)/t15-/m1/s1
InChIKeyJGBYAYVZFKMLPQ-OAHLLOKOSA-N
MW361.80 g/mol
LogP2.63
Rot. Bonds3

About [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702569) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702569
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2cccc(Cc3cc(F)ccc3Cl)c21
InChIInChI=1S/C18H17ClFN3O2/c1-23-16-10(7-12-8-13(20)5-6-14(12)19)3-2-4-11(16)9-15(17(23)24)22-18(21)25/h2-6,8,15H,7,9H2,1H3,(H3,21,22,25)/t15-/m1/s1
InChIKeyJGBYAYVZFKMLPQ-OAHLLOKOSA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea with MolForge

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Related Compounds

[(3R)-8-[(2-chlorophenyl)methyl]-7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
CID 170702566
[(3R)-1-methyl-2-oxo-8-[2-(trifluoromethyl)phenoxy]-3,4-dihydroquinolin-3-yl]urea
CID 170702663
(3R)-8-(2-chloro-5-fluorophenoxy)-7-fluoro-1-methyl-3-(pyridazin-3-ylamino)-3,4-dihydroquinolin-2-one
CID 178012779
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
CID 123134509
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
(3R)-8-(2-bromo-5-fluorophenoxy)-7-chloro-1-methyl-3-(pyridazin-3-ylamino)-3,4-dihydroquinolin-2-one
CID 178012817
N-[1-[[(3R)-1-[(2-chlorophenyl)methyl]-7-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 46850409
2-chloro-6-(cyclopropylmethoxy)-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzamide
CID 164638215
(3R)-8-(2-chloro-5-fluorophenoxy)-3-(dimethylsulfamoylamino)-1,7-dimethyl-2-oxo-3,4-dihydroquinoline
CID 178012757
N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
CID 86928510
3-[(2-chloro-5-fluorophenyl)methyl-methylamino]propanoic acid
CID 102616813

Frequently Asked Questions

What is the IUPAC name of [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (CID 170702569) is [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is CN1C(=O)[C@H](NC(N)=O)Cc2cccc(Cc3cc(F)ccc3Cl)c21.
What is the InChIKey of [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is JGBYAYVZFKMLPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-23-16-10(7-12-8-13(20)5-6-14(12)19)3-2-4-11(16)9-15(17(23)24)22-18(21)25/h2-6,8,15H,7,9H2,1H3,(H3,21,22,25)/t15-/m1/s1.
What are the key properties of [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
[(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 361.80 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-[(2-chloro-5-fluorophenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).