1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C19H18ClN3O2 — CID 110325483

IUPAC1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cc(C)c2cc(CNC(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18ClN3O2/c1-11-6-12(2)16-8-13(18(24)23-17(16)7-11)10-21-19(25)22-15-5-3-4-14(20)9-15/h3-9H,10H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyJQLPHJAFNDSNHA-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.12
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 110325483) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID110325483
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cc(C)c2cc(CNC(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18ClN3O2/c1-11-6-12(2)16-8-13(18(24)23-17(16)7-11)10-21-19(25)22-15-5-3-4-14(20)9-15/h3-9H,10H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyJQLPHJAFNDSNHA-UHFFFAOYSA-N
XLogP4.12
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
1-(3-chlorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974633
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
CID 110618975
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
2-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium
CID 6970289

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 110325483) is 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cc(C)c2cc(CNC(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is JQLPHJAFNDSNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-6-12(2)16-8-13(18(24)23-17(16)7-11)10-21-19(25)22-15-5-3-4-14(20)9-15/h3-9H,10H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 355.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 110325483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).