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

C18H16ClN3O2 — CID 110618975

IUPAC1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
SMILESCc1cc2ccc(NC(=O)NCc3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-11-7-13-5-6-15(9-16(13)22-17(11)23)21-18(24)20-10-12-3-2-4-14(19)8-12/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeySPJHMMBPPCKIFD-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.81
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea (PubChem CID 110618975) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
PubChem CID110618975
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea
SMILESCc1cc2ccc(NC(=O)NCc3cccc(Cl)c3)cc2[nH]c1=O
InChIInChI=1S/C18H16ClN3O2/c1-11-7-13-5-6-15(9-16(13)22-17(11)23)21-18(24)20-10-12-3-2-4-14(19)8-12/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeySPJHMMBPPCKIFD-UHFFFAOYSA-N
XLogP3.81
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-oxobutanamide
CID 110613710
1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110325483
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea (CID 110618975) is 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea is Cc1cc2ccc(NC(=O)NCc3cccc(Cl)c3)cc2[nH]c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea?
The InChIKey is SPJHMMBPPCKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-7-13-5-6-15(9-16(13)22-17(11)23)21-18(24)20-10-12-3-2-4-14(19)8-12/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea?
1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea has a molecular weight of 341.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)urea is sourced from PubChem (CID 110618975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).