3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide

C22H23N3O3 — CID 4219491

IUPAC3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1
InChIInChI=1S/C22H23N3O3/c1-15-12-21(25-8-10-28-11-9-25)24-20-7-6-17(14-19(15)20)23-22(26)16-4-3-5-18(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,23,26)
InChIKeyBAZRAAMGZKIEJC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds4

About 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide

3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide (PubChem CID 4219491) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
PubChem CID4219491
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1
InChIInChI=1S/C22H23N3O3/c1-15-12-21(25-8-10-28-11-9-25)24-20-7-6-17(14-19(15)20)23-22(26)16-4-3-5-18(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,23,26)
InChIKeyBAZRAAMGZKIEJC-UHFFFAOYSA-N
XLogP3.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide (CID 4219491) is 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide is COc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1.
What is the InChIKey of 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
The InChIKey is BAZRAAMGZKIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-12-21(25-8-10-28-11-9-25)24-20-7-6-17(14-19(15)20)23-22(26)16-4-3-5-18(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide?
3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)benzamide is sourced from PubChem (CID 4219491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).