1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one

C17H17ClN2O3 — CID 1478480

IUPAC1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cccn(Cc2cccc(Cl)c2)c1=O)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3/c18-14-4-1-3-13(11-14)12-20-6-2-5-15(17(20)22)16(21)19-7-9-23-10-8-19/h1-6,11H,7-10,12H2
InChIKeyKHOWQUNYXGZWOH-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.02
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one

1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one (PubChem CID 1478480) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
PubChem CID1478480
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one
SMILESO=C(c1cccn(Cc2cccc(Cl)c2)c1=O)N1CCOCC1
InChIInChI=1S/C17H17ClN2O3/c18-14-4-1-3-13(11-14)12-20-6-2-5-15(17(20)22)16(21)19-7-9-23-10-8-19/h1-6,11H,7-10,12H2
InChIKeyKHOWQUNYXGZWOH-UHFFFAOYSA-N
XLogP2.02
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one (CID 1478480) is 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one is O=C(c1cccn(Cc2cccc(Cl)c2)c1=O)N1CCOCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
The InChIKey is KHOWQUNYXGZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-4-1-3-13(11-14)12-20-6-2-5-15(17(20)22)16(21)19-7-9-23-10-8-19/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one?
1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 1478480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).