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

C24H22N4O3 — CID 646408

IUPAC1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H22N4O3/c1-31-21-9-10-22-18(13-21)12-19(23(29)27-22)16-28(15-17-6-5-11-25-14-17)24(30)26-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyBIIZOAMFFSLWPL-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.17
Rot. Bonds6

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

1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 646408) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
PubChem CID646408
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H22N4O3/c1-31-21-9-10-22-18(13-21)12-19(23(29)27-22)16-28(15-17-6-5-11-25-14-17)24(30)26-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyBIIZOAMFFSLWPL-UHFFFAOYSA-N
XLogP4.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea (CID 646408) is 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea is COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is BIIZOAMFFSLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-21-9-10-22-18(13-21)12-19(23(29)27-22)16-28(15-17-6-5-11-25-14-17)24(30)26-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 414.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 646408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).