3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

C24H21ClN4O3 — CID 1430848

IUPAC3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H21ClN4O3/c1-32-21-9-4-17-11-18(23(30)28-22(17)12-21)15-29(14-16-3-2-10-26-13-16)24(31)27-20-7-5-19(25)6-8-20/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyWJHGVOBBNUAWLI-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.82
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 1430848) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID1430848
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H21ClN4O3/c1-32-21-9-4-17-11-18(23(30)28-22(17)12-21)15-29(14-16-3-2-10-26-13-16)24(31)27-20-7-5-19(25)6-8-20/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyWJHGVOBBNUAWLI-UHFFFAOYSA-N
XLogP4.82
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 1430848) is 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is COc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is WJHGVOBBNUAWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-32-21-9-4-17-11-18(23(30)28-22(17)12-21)15-29(14-16-3-2-10-26-13-16)24(31)27-20-7-5-19(25)6-8-20/h2-13H,14-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 448.91 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1430848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).