N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide

C23H24ClN3O3 — CID 648501

IUPACN-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C23H24ClN3O3/c1-16-6-7-21-18(12-16)13-19(22(28)25-21)15-27(14-17-4-2-3-5-20(17)24)23(29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)
InChIKeyUODRUOIDSJVNFF-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide

N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 648501) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
PubChem CID648501
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1
InChIInChI=1S/C23H24ClN3O3/c1-16-6-7-21-18(12-16)13-19(22(28)25-21)15-27(14-17-4-2-3-5-20(17)24)23(29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)
InChIKeyUODRUOIDSJVNFF-UHFFFAOYSA-N
XLogP3.94
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide (CID 648501) is N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide is Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is UODRUOIDSJVNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-16-6-7-21-18(12-16)13-19(22(28)25-21)15-27(14-17-4-2-3-5-20(17)24)23(29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 648501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).