N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide

C26H29N5O4 — CID 24979339

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-3-5-13-30(22-23(27)31(14-6-4-2)26(34)29-24(22)32)25(33)18-16-20(21-12-9-15-35-21)28-19-11-8-7-10-17(18)19/h7-12,15-16H,3-6,13-14,27H2,1-2H3,(H,29,32,34)
InChIKeyOEAZOKNXDOSFNR-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.17
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 24979339) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID24979339
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-3-5-13-30(22-23(27)31(14-6-4-2)26(34)29-24(22)32)25(33)18-16-20(21-12-9-15-35-21)28-19-11-8-7-10-17(18)19/h7-12,15-16H,3-6,13-14,27H2,1-2H3,(H,29,32,34)
InChIKeyOEAZOKNXDOSFNR-UHFFFAOYSA-N
XLogP4.17
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 24687531
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-(furan-2-yl)-3-methyl-N-pentyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43041124
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(phenoxymethyl)furan-2-carboxamide
CID 16593364
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide
CID 26185662
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxo-3H-quinazolin-2-yl)-N-propylpropanamide
CID 135857713
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-butyl-5-methoxybenzamide
CID 26185525
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(methylamino)-5-nitrobenzamide
CID 16963227
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide (CID 24979339) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide is CCCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is OEAZOKNXDOSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-3-5-13-30(22-23(27)31(14-6-4-2)26(34)29-24(22)32)25(33)18-16-20(21-12-9-15-35-21)28-19-11-8-7-10-17(18)19/h7-12,15-16H,3-6,13-14,27H2,1-2H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 24979339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).