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

C25H27N5O5 — CID 24687477

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C25H27N5O5/c1-3-4-11-30-22(26)21(23(31)28-25(30)33)29(12-14-34-2)24(32)17-15-19(20-10-7-13-35-20)27-18-9-6-5-8-16(17)18/h5-10,13,15H,3-4,11-12,14,26H2,1-2H3,(H,28,31,33)
InChIKeyDUYHGAPJNBUILH-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.02
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide (PubChem CID 24687477) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide
PubChem CID24687477
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C25H27N5O5/c1-3-4-11-30-22(26)21(23(31)28-25(30)33)29(12-14-34-2)24(32)17-15-19(20-10-7-13-35-20)27-18-9-6-5-8-16(17)18/h5-10,13,15H,3-4,11-12,14,26H2,1-2H3,(H,28,31,33)
InChIKeyDUYHGAPJNBUILH-UHFFFAOYSA-N
XLogP3.02
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide (CID 24687477) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide is CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide?
The InChIKey is DUYHGAPJNBUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-3-4-11-30-22(26)21(23(31)28-25(30)33)29(12-14-34-2)24(32)17-15-19(20-10-7-13-35-20)27-18-9-6-5-8-16(17)18/h5-10,13,15H,3-4,11-12,14,26H2,1-2H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 24687477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).