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

C26H29N5O4 — CID 24687531

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-4-5-12-30-23(27)22(24(32)29-26(30)34)31(15-16(2)3)25(33)18-14-20(21-11-8-13-35-21)28-19-10-7-6-9-17(18)19/h6-11,13-14,16H,4-5,12,15,27H2,1-3H3,(H,29,32,34)
InChIKeyHBRARLVUFBOXQA-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.03
Rot. Bonds8

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 24687531) 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)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID24687531
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C26H29N5O4/c1-4-5-12-30-23(27)22(24(32)29-26(30)34)31(15-16(2)3)25(33)18-14-20(21-11-8-13-35-21)28-19-10-7-6-9-17(18)19/h6-11,13-14,16H,4-5,12,15,27H2,1-3H3,(H,29,32,34)
InChIKeyHBRARLVUFBOXQA-UHFFFAOYSA-N
XLogP4.03
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 24979339
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
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)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 24980112
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 29242290
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426

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-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide (CID 24687531) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)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-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide is CCCCn1c(N)c(N(CC(C)C)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-methylpropyl)quinoline-4-carboxamide?
The InChIKey is HBRARLVUFBOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-4-5-12-30-23(27)22(24(32)29-26(30)34)31(15-16(2)3)25(33)18-14-20(21-11-8-13-35-21)28-19-10-7-6-9-17(18)19/h6-11,13-14,16H,4-5,12,15,27H2,1-3H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.03, 8 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)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 24687531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).