azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile

C27H27N5O3 — CID 162334317

IUPACazane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
SMILESN.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C27H24N4O3.H3N/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20;/h1-11,18H,12-17H2;1H3
InChIKeyRQGYEZJIZXQMQX-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.83
Rot. Bonds5

About azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile

azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile (PubChem CID 162334317) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Nameazane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
PubChem CID162334317
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Nameazane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
SMILESN.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C27H24N4O3.H3N/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20;/h1-11,18H,12-17H2;1H3
InChIKeyRQGYEZJIZXQMQX-UHFFFAOYSA-N
XLogP3.83
TPSA117.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile with MolForge

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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;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846
1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
CID 58799240
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 58799195
3-(dihydroxyamino)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 162598894
azane;1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162306393
2-oxo-1-pentyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081937
1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543767
1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate
CID 23543985
1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081868

Frequently Asked Questions

What is the IUPAC name of azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile?
The IUPAC name of azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile (CID 162334317) is azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile.
What is the SMILES notation for azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile?
The canonical SMILES for azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile is N.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(CCc2ccccc2)c1=O.
What is the InChIKey of azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile?
The InChIKey is RQGYEZJIZXQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3.H3N/c28-19-22-25(29-14-16-30(17-15-29)27(33)24-11-6-18-34-24)21-9-4-5-10-23(21)31(26(22)32)13-12-20-7-2-1-3-8-20;/h1-11,18H,12-17H2;1H3.
What are the key properties of azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile?
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile has a molecular weight of 469.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 162334317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).