1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile

C24H27N5O3 — CID 58799240

IUPAC1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2CCN(C)C
InChIInChI=1S/C24H27N5O3/c1-17-6-7-20-18(15-17)22(19(16-25)23(30)29(20)13-8-26(2)3)27-9-11-28(12-10-27)24(31)21-5-4-14-32-21/h4-7,14-15H,8-13H2,1-3H3
InChIKeyMEXMXOBXEFFMHF-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile

1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile (PubChem CID 58799240) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
PubChem CID58799240
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2CCN(C)C
InChIInChI=1S/C24H27N5O3/c1-17-6-7-20-18(15-17)22(19(16-25)23(30)29(20)13-8-26(2)3)27-9-11-28(12-10-27)24(31)21-5-4-14-32-21/h4-7,14-15H,8-13H2,1-3H3
InChIKeyMEXMXOBXEFFMHF-UHFFFAOYSA-N
XLogP2.30
TPSA85.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
CID 23543978
1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
CID 58799271
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
CID 58799187
6-chloro-4-[4-(2,3-dihydrofuran-5-carbonyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile
CID 71154911
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
CID 23543752
ethyl 6-chloro-1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;methane
CID 158149910
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157277047
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
CID 58799186
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-6-iodo-1-methyl-2-oxoquinoline-3-carbonitrile;6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159389476
ethyl 1-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 10163773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile (CID 58799240) is 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile is Cc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is MEXMXOBXEFFMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17-6-7-20-18(15-17)22(19(16-25)23(30)29(20)13-8-26(2)3)27-9-11-28(12-10-27)24(31)21-5-4-14-32-21/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile?
1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 433.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).