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

C18H16ClN3O2 — CID 110324407

IUPAC1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CNC(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H16ClN3O2/c1-11-3-2-4-12-9-13(17(23)22-16(11)12)10-20-18(24)21-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyDSYMHUFFCAQFJW-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.81
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 110324407) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID110324407
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CNC(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H16ClN3O2/c1-11-3-2-4-12-9-13(17(23)22-16(11)12)10-20-18(24)21-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyDSYMHUFFCAQFJW-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

1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
3-(4-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3194371
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
1-(4-chlorophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137004
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
1-(3-chlorophenyl)-3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110325483
3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 110324407) is 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cccc2cc(CNC(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is DSYMHUFFCAQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-3-2-4-12-9-13(17(23)22-16(11)12)10-20-18(24)21-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]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-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 110324407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).