[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone

C25H23N3O5 — CID 3242345

IUPAC[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1
InChIInChI=1S/C25H23N3O5/c1-30-19-4-3-17-11-18-12-23(33-24(18)26-20(17)13-19)25(29)28-8-6-27(7-9-28)14-16-2-5-21-22(10-16)32-15-31-21/h2-5,10-13H,6-9,14-15H2,1H3
InChIKeyXTOZKKUNDNLAQO-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.68
Rot. Bonds4

About [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 3242345) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID3242345
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1
InChIInChI=1S/C25H23N3O5/c1-30-19-4-3-17-11-18-12-23(33-24(18)26-20(17)13-19)25(29)28-8-6-27(7-9-28)14-16-2-5-21-22(10-16)32-15-31-21/h2-5,10-13H,6-9,14-15H2,1H3
InChIKeyXTOZKKUNDNLAQO-UHFFFAOYSA-N
XLogP3.68
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-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

13-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzo[h][1,3]benzodioxolo[5,6-c][2,6]naphthyridin-12(13H)-one
CID 22256570
(5S)-5-ethyl-14-(furan-2-yl)-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CID 146275738
(5S)-5-ethyl-14-(furan-3-yl)-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CID 156267089
6-Methoxy-2-(piperidin-1-ylcarbonyl)furo[2,3-b]quinoline
CID 3237525
3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-4-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11123630
3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11762536
7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
CID 4187861
7-methoxy-N-(2-methoxyethyl)furo[2,3-b]quinoline-2-carboxamide
CID 16001242
6-methoxy-N-(3-methoxypropyl)furo[2,3-b]quinoline-2-carboxamide
CID 20853842
2-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2930838
N-cyclohexyl-7-methoxy-N-methylfuro[2,3-b]quinoline-2-carboxamide
CID 4059946
(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-(5-phenyl-furan-2-yl)-methanone
CID 10161792

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (CID 3242345) is [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1.
What is the InChIKey of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is XTOZKKUNDNLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-19-4-3-17-11-18-12-23(33-24(18)26-20(17)13-19)25(29)28-8-6-27(7-9-28)14-16-2-5-21-22(10-16)32-15-31-21/h2-5,10-13H,6-9,14-15H2,1H3.
What are the key properties of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 445.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 3242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).