(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone

C22H23N3O2 — CID 4302075

IUPAC(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC(C)OC(C)C3)c2c1
InChIInChI=1S/C22H23N3O2/c1-14-4-5-20-18(10-14)19(11-21(24-20)17-6-8-23-9-7-17)22(26)25-12-15(2)27-16(3)13-25/h4-11,15-16H,12-13H2,1-3H3
InChIKeyFYNHIRYAIDTCCN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.85
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 4302075) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID4302075
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC(C)OC(C)C3)c2c1
InChIInChI=1S/C22H23N3O2/c1-14-4-5-20-18(10-14)19(11-21(24-20)17-6-8-23-9-7-17)22(26)25-12-15(2)27-16(3)13-25/h4-11,15-16H,12-13H2,1-3H3
InChIKeyFYNHIRYAIDTCCN-UHFFFAOYSA-N
XLogP3.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone (CID 4302075) is (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone is Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC(C)OC(C)C3)c2c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is FYNHIRYAIDTCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-4-5-20-18(10-14)19(11-21(24-20)17-6-8-23-9-7-17)22(26)25-12-15(2)27-16(3)13-25/h4-11,15-16H,12-13H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 4302075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).