azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

C26H24FN5O3 — CID 159792567

IUPACazane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESN.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H21FN4O3.H3N/c27-19-9-7-18(8-10-19)17-31-22-5-2-1-4-20(22)24(21(16-28)25(31)32)29-11-13-30(14-12-29)26(33)23-6-3-15-34-23;/h1-10,15H,11-14,17H2;1H3
InChIKeyDLGNQOGTFPHEMP-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.78
Rot. Bonds4

About azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (PubChem CID 159792567) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Nameazane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
PubChem CID159792567
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Nameazane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESN.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H21FN4O3.H3N/c27-19-9-7-18(8-10-19)17-31-22-5-2-1-4-20(22)24(21(16-28)25(31)32)29-11-13-30(14-12-29)26(33)23-6-3-15-34-23;/h1-10,15H,11-14,17H2;1H3
InChIKeyDLGNQOGTFPHEMP-UHFFFAOYSA-N
XLogP3.78
TPSA117.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
CID 58799187
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 89052513
azane;chloromethane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 160666698
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 58799173
1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081886
1-[(4-fluorophenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile;hydrochloride
CID 70874272
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 58799195
azane;1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162306393
1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081877
2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 21081944

Frequently Asked Questions

What is the IUPAC name of azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (CID 159792567) is azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is N.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is DLGNQOGTFPHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3.H3N/c27-19-9-7-18(8-10-19)17-31-22-5-2-1-4-20(22)24(21(16-28)25(31)32)29-11-13-30(14-12-29)26(33)23-6-3-15-34-23;/h1-10,15H,11-14,17H2;1H3.
What are the key properties of azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 473.51 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 159792567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).