4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C17H23N3O2 — CID 97469104

IUPAC4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(Cc2ccco2)Cc2ccc(C)nc21
InChIInChI=1S/C17H23N3O2/c1-14-5-6-15-12-19(13-16-4-3-10-22-16)7-8-20(9-11-21-2)17(15)18-14/h3-6,10H,7-9,11-13H2,1-2H3
InChIKeyQVJRTOWVPICFSN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.45
Rot. Bonds5

About 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469104) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469104
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(Cc2ccco2)Cc2ccc(C)nc21
InChIInChI=1S/C17H23N3O2/c1-14-5-6-15-12-19(13-16-4-3-10-22-16)7-8-20(9-11-21-2)17(15)18-14/h3-6,10H,7-9,11-13H2,1-2H3
InChIKeyQVJRTOWVPICFSN-UHFFFAOYSA-N
XLogP2.45
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469104) is 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is COCCN1CCN(Cc2ccco2)Cc2ccc(C)nc21.
What is the InChIKey of 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is QVJRTOWVPICFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14-5-6-15-12-19(13-16-4-3-10-22-16)7-8-20(9-11-21-2)17(15)18-14/h3-6,10H,7-9,11-13H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 301.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).