furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone

C22H25N3O2 — CID 134696764

IUPACfuran-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2c(C)cc(N3CCCN(C(=O)c4ccco4)CC3)nc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-7-8-18-16(2)14-20(23-21(18)17(15)3)24-9-5-10-25(12-11-24)22(26)19-6-4-13-27-19/h4,6-8,13-14H,5,9-12H2,1-3H3
InChIKeyKAEIQIWEFXMXJK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.11
Rot. Bonds2

About furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone

furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 134696764) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID134696764
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namefuran-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2c(C)cc(N3CCCN(C(=O)c4ccco4)CC3)nc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-7-8-18-16(2)14-20(23-21(18)17(15)3)24-9-5-10-25(12-11-24)22(26)19-6-4-13-27-19/h4,6-8,13-14H,5,9-12H2,1-3H3
InChIKeyKAEIQIWEFXMXJK-UHFFFAOYSA-N
XLogP4.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone (CID 134696764) is furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone is Cc1ccc2c(C)cc(N3CCCN(C(=O)c4ccco4)CC3)nc2c1C.
What is the InChIKey of furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is KAEIQIWEFXMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-7-8-18-16(2)14-20(23-21(18)17(15)3)24-9-5-10-25(12-11-24)22(26)19-6-4-13-27-19/h4,6-8,13-14H,5,9-12H2,1-3H3.
What are the key properties of furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone?
furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4,7,8-trimethylquinolin-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134696764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).