[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C24H26N4O5 — CID 14069005

IUPAC[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C24H26N4O5/c1-30-20-11-15-16(25)12-23(26-17(15)13-21(20)31-2)27-7-9-28(10-8-27)24(29)22-14-32-18-5-3-4-6-19(18)33-22/h3-6,11-13,22H,7-10,14H2,1-2H3,(H2,25,26)
InChIKeyZFRTXZXTDUWKCL-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.32
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 14069005) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID14069005
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C24H26N4O5/c1-30-20-11-15-16(25)12-23(26-17(15)13-21(20)31-2)27-7-9-28(10-8-27)24(29)22-14-32-18-5-3-4-6-19(18)33-22/h3-6,11-13,22H,7-10,14H2,1-2H3,(H2,25,26)
InChIKeyZFRTXZXTDUWKCL-UHFFFAOYSA-N
XLogP2.32
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 14069005) is [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)cc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is ZFRTXZXTDUWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-20-11-15-16(25)12-23(26-17(15)13-21(20)31-2)27-7-9-28(10-8-27)24(29)22-14-32-18-5-3-4-6-19(18)33-22/h3-6,11-13,22H,7-10,14H2,1-2H3,(H2,25,26).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 450.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 14069005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).