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

C23H20FN3O3 — CID 15990858

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5F)CC4)oc3nc2c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-7-6-15-12-16-13-21(30-22(16)25-19(15)14-17)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3
InChIKeyDBPJGXRITLVYNO-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.09
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 15990858) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID15990858
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5F)CC4)oc3nc2c1
InChIInChI=1S/C23H20FN3O3/c1-29-17-7-6-15-12-16-13-21(30-22(16)25-19(15)14-17)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3
InChIKeyDBPJGXRITLVYNO-UHFFFAOYSA-N
XLogP4.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
[4-(2-fluorophenyl)piperazin-1-yl]-[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]methanone
CID 20959754

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (CID 15990858) is [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is COc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5F)CC4)oc3nc2c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is DBPJGXRITLVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-17-7-6-15-12-16-13-21(30-22(16)25-19(15)14-17)23(28)27-10-8-26(9-11-27)20-5-3-2-4-18(20)24/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 405.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 15990858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).