1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea

C20H21N3O2 — CID 110326282

IUPAC1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
SMILESCc1cc(C)c2[nH]c(=O)c(CCNC(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O2/c1-13-10-14(2)18-16(11-13)12-15(19(24)23-18)8-9-21-20(25)22-17-6-4-3-5-7-17/h3-7,10-12H,8-9H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyMCVDPUGSLMMZFC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea

1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea (PubChem CID 110326282) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
PubChem CID110326282
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
SMILESCc1cc(C)c2[nH]c(=O)c(CCNC(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C20H21N3O2/c1-13-10-14(2)18-16(11-13)12-15(19(24)23-18)8-9-21-20(25)22-17-6-4-3-5-7-17/h3-7,10-12H,8-9H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyMCVDPUGSLMMZFC-UHFFFAOYSA-N
XLogP3.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331601
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
2-bromo-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110325268
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
CID 3214314

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea (CID 110326282) is 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea is Cc1cc(C)c2[nH]c(=O)c(CCNC(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
The InChIKey is MCVDPUGSLMMZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-10-14(2)18-16(11-13)12-15(19(24)23-18)8-9-21-20(25)22-17-6-4-3-5-7-17/h3-7,10-12H,8-9H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea?
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea has a molecular weight of 335.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110326282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).