1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea

C23H18ClN3O2 — CID 71208552

IUPAC1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Nc1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-11-12-20-21(13-17)27(19-9-5-2-6-10-19)15-16(22(20)28)14-25-23(29)26-18-7-3-1-4-8-18/h1-13,15H,14H2,(H2,25,26,29)
InChIKeySYAPFIQRJYCKQP-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.97
Rot. Bonds4

About 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea

1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea (PubChem CID 71208552) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea
PubChem CID71208552
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Nc1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-17-11-12-20-21(13-17)27(19-9-5-2-6-10-19)15-16(22(20)28)14-25-23(29)26-18-7-3-1-4-8-18/h1-13,15H,14H2,(H2,25,26,29)
InChIKeySYAPFIQRJYCKQP-UHFFFAOYSA-N
XLogP4.97
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea (CID 71208552) is 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Nc1ccccc1.
What is the InChIKey of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is SYAPFIQRJYCKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-17-11-12-20-21(13-17)27(19-9-5-2-6-10-19)15-16(22(20)28)14-25-23(29)26-18-7-3-1-4-8-18/h1-13,15H,14H2,(H2,25,26,29).
What are the key properties of 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea?
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 403.87 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 71208552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).