1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea

C26H26N4O4 — CID 649587

IUPAC1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1
InChIInChI=1S/C26H26N4O4/c1-3-34-21-10-11-22-19(14-21)13-20(25(31)28-22)17-30(16-18-7-6-12-27-15-18)26(32)29-23-8-4-5-9-24(23)33-2/h4-15H,3,16-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyUIKYCVTWFQKQOZ-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.56
Rot. Bonds8

About 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea

1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 649587) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID649587
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1
InChIInChI=1S/C26H26N4O4/c1-3-34-21-10-11-22-19(14-21)13-20(25(31)28-22)17-30(16-18-7-6-12-27-15-18)26(32)29-23-8-4-5-9-24(23)33-2/h4-15H,3,16-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyUIKYCVTWFQKQOZ-UHFFFAOYSA-N
XLogP4.56
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea with MolForge

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Launch Full Analysis

Related Compounds

7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic acid (2-pyridine-4-ylethyl)amide
CID 9953325
7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
CID 11362251
8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide
CID 23555588
1-(6-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-1-pyridin-3-ylmethyl-urea
CID 646408
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
Pyrazine-2-carboxylic acid, (6-ethoxy-2-oxo-1,2-dihydroquinolin-3-ylmethyl)-phenethylamide
CID 649672
3-(2-Methoxy-phenyl)-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 654405
N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 664893
5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-nicotinamide
CID 10151709
3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-pyridin-3-yl-benzamide
CID 10289414
5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-(2-morpholin-4-yl-ethyl)-nicotinamide
CID 10311959
2-Isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557474

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea (CID 649587) is 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea is CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1.
What is the InChIKey of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is UIKYCVTWFQKQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-3-34-21-10-11-22-19(14-21)13-20(25(31)28-22)17-30(16-18-7-6-12-27-15-18)26(32)29-23-8-4-5-9-24(23)33-2/h4-15H,3,16-17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea?
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 458.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 649587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).