N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide

C23H23N3O3 — CID 163318095

IUPACN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(-c3ccc(C(=O)NCC4CN(C)C(=O)CO4)cc3)cccc2n1
InChIInChI=1S/C23H23N3O3/c1-15-6-11-20-19(4-3-5-21(20)25-15)16-7-9-17(10-8-16)23(28)24-12-18-13-26(2)22(27)14-29-18/h3-11,18H,12-14H2,1-2H3,(H,24,28)
InChIKeyAYOPWEBJFVHOBJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.80
Rot. Bonds4

About N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide

N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide (PubChem CID 163318095) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
PubChem CID163318095
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
SMILESCc1ccc2c(-c3ccc(C(=O)NCC4CN(C)C(=O)CO4)cc3)cccc2n1
InChIInChI=1S/C23H23N3O3/c1-15-6-11-20-19(4-3-5-21(20)25-15)16-7-9-17(10-8-16)23(28)24-12-18-13-26(2)22(27)14-29-18/h3-11,18H,12-14H2,1-2H3,(H,24,28)
InChIKeyAYOPWEBJFVHOBJ-UHFFFAOYSA-N
XLogP2.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide (CID 163318095) is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide.
What is the SMILES notation for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The canonical SMILES for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide is Cc1ccc2c(-c3ccc(C(=O)NCC4CN(C)C(=O)CO4)cc3)cccc2n1.
What is the InChIKey of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
The InChIKey is AYOPWEBJFVHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-6-11-20-19(4-3-5-21(20)25-15)16-7-9-17(10-8-16)23(28)24-12-18-13-26(2)22(27)14-29-18/h3-11,18H,12-14H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide?
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide is sourced from PubChem (CID 163318095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).