2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate

C27H27N3O4 — CID 2371457

IUPAC2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C27H27N3O4/c1-3-30(4-2)15-17-34-27(32)19-11-13-20(14-12-19)28-26(31)22-18-24(25-10-7-16-33-25)29-23-9-6-5-8-21(22)23/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,31)
InChIKeyFKTXFPWFLXLXRG-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.25
Rot. Bonds9

About 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate

2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate (PubChem CID 2371457) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
PubChem CID2371457
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C27H27N3O4/c1-3-30(4-2)15-17-34-27(32)19-11-13-20(14-12-19)28-26(31)22-18-24(25-10-7-16-33-25)29-23-9-6-5-8-21(22)23/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,31)
InChIKeyFKTXFPWFLXLXRG-UHFFFAOYSA-N
XLogP5.25
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[(2-naphthalen-1-ylquinoline-4-carbonyl)amino]benzoate
CID 2336394
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 167851966
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23876555
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate (CID 2371457) is 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
The InChIKey is FKTXFPWFLXLXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-3-30(4-2)15-17-34-27(32)19-11-13-20(14-12-19)28-26(31)22-18-24(25-10-7-16-33-25)29-23-9-6-5-8-21(22)23/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,31).
What are the key properties of 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate?
2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate has a molecular weight of 457.53 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate is sourced from PubChem (CID 2371457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).