propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate

C23H24ClNO3 — CID 12802826

IUPACpropyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate
SMILESCCCOC(=O)C(C)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccc(C)cc12
InChIInChI=1S/C23H24ClNO3/c1-4-11-28-23(27)16(3)19-13-22(26)25(14-17-6-8-18(24)9-7-17)21-10-5-15(2)12-20(19)21/h5-10,12-13,16H,4,11,14H2,1-3H3
InChIKeyBDPVWOYZHQGIIK-UHFFFAOYSA-N
MW397.90 g/mol
LogP5.07
Rot. Bonds6

About propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate

propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate (PubChem CID 12802826) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate.

Molecular Properties

Compound Namepropyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate
PubChem CID12802826
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Namepropyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate
SMILESCCCOC(=O)C(C)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccc(C)cc12
InChIInChI=1S/C23H24ClNO3/c1-4-11-28-23(27)16(3)19-13-22(26)25(14-17-6-8-18(24)9-7-17)21-10-5-15(2)12-20(19)21/h5-10,12-13,16H,4,11,14H2,1-3H3
InChIKeyBDPVWOYZHQGIIK-UHFFFAOYSA-N
XLogP5.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate?
The IUPAC name of propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate (CID 12802826) is propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate.
What is the SMILES notation for propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate?
The canonical SMILES for propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate is CCCOC(=O)C(C)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccc(C)cc12.
What is the InChIKey of propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate?
The InChIKey is BDPVWOYZHQGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-4-11-28-23(27)16(3)19-13-22(26)25(14-17-6-8-18(24)9-7-17)21-10-5-15(2)12-20(19)21/h5-10,12-13,16H,4,11,14H2,1-3H3.
What are the key properties of propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate?
propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate has a molecular weight of 397.90 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate is sourced from PubChem (CID 12802826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).