(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone

C22H23N3O2 — CID 110131996

IUPAC(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOCC(Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C22H23N3O2/c1-16-4-2-6-21(24-16)22(26)25-10-11-27-15-18(14-25)12-17-7-8-20-19(13-17)5-3-9-23-20/h2-9,13,18H,10-12,14-15H2,1H3
InChIKeyACFQSEXPOXKEIF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.27
Rot. Bonds3

About (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone

(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 110131996) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID110131996
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOCC(Cc3ccc4ncccc4c3)C2)n1
InChIInChI=1S/C22H23N3O2/c1-16-4-2-6-21(24-16)22(26)25-10-11-27-15-18(14-25)12-17-7-8-20-19(13-17)5-3-9-23-20/h2-9,13,18H,10-12,14-15H2,1H3
InChIKeyACFQSEXPOXKEIF-UHFFFAOYSA-N
XLogP3.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 110131996) is (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone is Cc1cccc(C(=O)N2CCOCC(Cc3ccc4ncccc4c3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is ACFQSEXPOXKEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-4-2-6-21(24-16)22(26)25-10-11-27-15-18(14-25)12-17-7-8-20-19(13-17)5-3-9-23-20/h2-9,13,18H,10-12,14-15H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone?
(6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 110131996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).