1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea

C24H27N3O4 — CID 3214314

IUPAC1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H27N3O4/c1-16-10-17(2)22-18(11-16)12-19(23(28)26-22)13-27(14-21-15-30-8-9-31-21)24(29)25-20-6-4-3-5-7-20/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBVFFRZOHFQEUAI-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.59
Rot. Bonds5

About 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea (PubChem CID 3214314) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
PubChem CID3214314
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea
SMILESCc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H27N3O4/c1-16-10-17(2)22-18(11-16)12-19(23(28)26-22)13-27(14-21-15-30-8-9-31-21)24(29)25-20-6-4-3-5-7-20/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBVFFRZOHFQEUAI-UHFFFAOYSA-N
XLogP3.59
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea with MolForge

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 3214356
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)cyclohexanecarboxamide
CID 3214319
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylurea
CID 3172385
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea
CID 3170840
3-(4-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3194371
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1453773
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3214370
1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylurea
CID 3768716
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1462490
3-(2-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3194571
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 650124
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 138456849

Frequently Asked Questions

What is the IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea?
The IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea (CID 3214314) is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea is Cc1cc(C)c2[nH]c(=O)c(CN(CC3COCCO3)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea?
The InChIKey is BVFFRZOHFQEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-10-17(2)22-18(11-16)12-19(23(28)26-22)13-27(14-21-15-30-8-9-31-21)24(29)25-20-6-4-3-5-7-20/h3-7,10-12,21H,8-9,13-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea?
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea has a molecular weight of 421.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(1,4-dioxan-2-ylmethyl)-3-phenylurea is sourced from PubChem (CID 3214314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).