furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone

C23H25N3O3 — CID 72924231

IUPACfuran-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)c2c1
InChIInChI=1S/C23H25N3O3/c1-15-5-6-20-19(13-15)21(16(2)17(3)24-20)23(28)26-9-4-8-25(10-11-26)22(27)18-7-12-29-14-18/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyGOXJSLXZVSKNGP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.74
Rot. Bonds2

About furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone

furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 72924231) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID72924231
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namefuran-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)c2c1
InChIInChI=1S/C23H25N3O3/c1-15-5-6-20-19(13-15)21(16(2)17(3)24-20)23(28)26-9-4-8-25(10-11-26)22(27)18-7-12-29-14-18/h5-7,12-14H,4,8-11H2,1-3H3
InChIKeyGOXJSLXZVSKNGP-UHFFFAOYSA-N
XLogP3.74
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-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

Related Compounds

1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72862430
8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951317
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621
2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97274873
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 31223639
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 134025112
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137342070
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(furan-3-yl)methanone
CID 53016384

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone (CID 72924231) is furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone is Cc1ccc2nc(C)c(C)c(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)c2c1.
What is the InChIKey of furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is GOXJSLXZVSKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-6-20-19(13-15)21(16(2)17(3)24-20)23(28)26-9-4-8-25(10-11-26)22(27)18-7-12-29-14-18/h5-7,12-14H,4,8-11H2,1-3H3.
What are the key properties of furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone?
furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 72924231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).