N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H29N5O4 — CID 43038249

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)Nc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O4/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(31)25-20(18)29)21(30)15-13-17(28)24-16-10-8-7-9-14(15)16/h7-10,15H,3-6,11-13,23H2,1-2H3,(H,24,28)(H,25,29,31)
InChIKeyGMPJCSVGMAODSY-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.18
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 43038249) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID43038249
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)Nc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O4/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(31)25-20(18)29)21(30)15-13-17(28)24-16-10-8-7-9-14(15)16/h7-10,15H,3-6,11-13,23H2,1-2H3,(H,24,28)(H,25,29,31)
InChIKeyGMPJCSVGMAODSY-UHFFFAOYSA-N
XLogP2.18
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038255
N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24591088
(4R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26008484
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide
CID 26262516
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262547
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8918138
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 43038249) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCN(C(=O)C1CC(=O)Nc2ccccc21)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-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GMPJCSVGMAODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(31)25-20(18)29)21(30)15-13-17(28)24-16-10-8-7-9-14(15)16/h7-10,15H,3-6,11-13,23H2,1-2H3,(H,24,28)(H,25,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 43038249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).