1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone

C24H25N3O2 — CID 119414671

IUPAC1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCCNCC1
InChIInChI=1S/C24H25N3O2/c28-24(27-13-5-11-25-12-14-27)22-19-8-1-2-10-21(19)26-23-17(6-3-9-20(22)23)16-18-7-4-15-29-18/h1-2,4,7-8,10,15-16,25H,3,5-6,9,11-14H2/b17-16-
InChIKeyDAFLVHKMBGKACL-MSUUIHNZSA-N
MW387.48 g/mol
LogP4.14
Rot. Bonds2

About 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone

1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone (PubChem CID 119414671) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone
PubChem CID119414671
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCCNCC1
InChIInChI=1S/C24H25N3O2/c28-24(27-13-5-11-25-12-14-27)22-19-8-1-2-10-21(19)26-23-17(6-3-9-20(22)23)16-18-7-4-15-29-18/h1-2,4,7-8,10,15-16,25H,3,5-6,9,11-14H2/b17-16-
InChIKeyDAFLVHKMBGKACL-MSUUIHNZSA-N
XLogP4.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone (CID 119414671) is 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone is O=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone?
The InChIKey is DAFLVHKMBGKACL-MSUUIHNZSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(27-13-5-11-25-12-14-27)22-19-8-1-2-10-21(19)26-23-17(6-3-9-20(22)23)16-18-7-4-15-29-18/h1-2,4,7-8,10,15-16,25H,3,5-6,9,11-14H2/b17-16-.
What are the key properties of 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone?
1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone is sourced from PubChem (CID 119414671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).