[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone

C25H23FN2O3S2 — CID 53246257

IUPAC[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(C(=O)c2cc4sccc4s2)CC1)CO3
InChIInChI=1S/C25H23FN2O3S2/c1-30-18-3-2-17-23(24(18)26)16-10-15(13-31-19(16)12-27-17)28-7-4-14(5-8-28)25(29)22-11-21-20(33-22)6-9-32-21/h2-3,6,9,11-12,14-15H,4-5,7-8,10,13H2,1H3
InChIKeyXEWHAVMPEFSIQD-UHFFFAOYSA-N
MW482.60 g/mol
LogP5.56
Rot. Bonds4

About [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone

[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 53246257) has the molecular formula C25H23FN2O3S2 and a molecular weight of 482.60 g/mol. Its IUPAC name is [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID53246257
Molecular FormulaC25H23FN2O3S2
Molecular Weight482.60 g/mol
Exact Mass482.11
IUPAC Name[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCOc1ccc2ncc3c(c2c1F)CC(N1CCC(C(=O)c2cc4sccc4s2)CC1)CO3
InChIInChI=1S/C25H23FN2O3S2/c1-30-18-3-2-17-23(24(18)26)16-10-15(13-31-19(16)12-27-17)28-7-4-14(5-8-28)25(29)22-11-21-20(33-22)6-9-32-21/h2-3,6,9,11-12,14-15H,4-5,7-8,10,13H2,1H3
InChIKeyXEWHAVMPEFSIQD-UHFFFAOYSA-N
XLogP5.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-(3-Fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-3-ylsulfanylethyl)piperidin-3-yl]acetic acid
CID 10278774
2-[1-[2-(3-Fluorothiophen-2-yl)sulfanylethyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetic acid
CID 21113298
2-[1-[2-(4-Fluorothiophen-2-yl)sulfanylethyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetic acid
CID 21113302
2-[1-[2-(5-Fluorothiophen-2-yl)sulfanylethyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetic acid
CID 21113304
2-[1-[3-(3-Fluorothiophen-2-yl)prop-2-ynyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetic acid
CID 21113330
2-[1-[3-(4-Fluorothiophen-2-yl)prop-2-ynyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidin-3-yl]acetic acid
CID 21113332
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(furan-2-ylsulfanyl)ethyl]piperidin-3-yl]acetic acid
CID 21346684
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(furan-3-ylsulfanyl)ethyl]piperidin-3-yl]acetic acid
CID 21346686
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(furan-2-ylsulfanyl)propyl]piperidin-3-yl]acetic acid
CID 21346964
2-[4-[3-Fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(furan-2-ylsulfanyl)propyl]piperidin-3-yl]acetic acid
CID 22453565
Ethyl 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(thien-2-yl)thioethyl]-piperidine-4-carboxylate
CID 22468467
2-[4-[3-(3-Fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-2-methyl-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl]acetic acid
CID 22643874

Frequently Asked Questions

What is the IUPAC name of [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 53246257) is [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone is COc1ccc2ncc3c(c2c1F)CC(N1CCC(C(=O)c2cc4sccc4s2)CC1)CO3.
What is the InChIKey of [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is XEWHAVMPEFSIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S2/c1-30-18-3-2-17-23(24(18)26)16-10-15(13-31-19(16)12-27-17)28-7-4-14(5-8-28)25(29)22-11-21-20(33-22)6-9-32-21/h2-3,6,9,11-12,14-15H,4-5,7-8,10,13H2,1H3.
What are the key properties of [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 482.60 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 53246257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).