N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide

C23H31N5O4 — CID 26262516

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H31N5O4/c1-3-5-13-28-20(24)19(22(31)26-23(28)32)27(12-4-2)18(29)11-10-16-14-15-8-6-7-9-17(15)25-21(16)30/h6-9,16H,3-5,10-14,24H2,1-2H3,(H,25,30)(H,26,31,32)/t16-/m1/s1
InChIKeyZPMKGABEYXUPMQ-MRXNPFEDSA-N
MW441.53 g/mol
LogP2.25
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide (PubChem CID 26262516) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide
PubChem CID26262516
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide
SMILESCCCCn1c(N)c(N(CCC)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H31N5O4/c1-3-5-13-28-20(24)19(22(31)26-23(28)32)27(12-4-2)18(29)11-10-16-14-15-8-6-7-9-17(15)25-21(16)30/h6-9,16H,3-5,10-14,24H2,1-2H3,(H,25,30)(H,26,31,32)/t16-/m1/s1
InChIKeyZPMKGABEYXUPMQ-MRXNPFEDSA-N
XLogP2.25
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide 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-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)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038249
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-cyclohexylpropanamide
CID 42999818
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)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294
butyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 35539392

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide?
The IUPAC name of 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) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide is CCCCn1c(N)c(N(CCC)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide?
The InChIKey is ZPMKGABEYXUPMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-3-5-13-28-20(24)19(22(31)26-23(28)32)27(12-4-2)18(29)11-10-16-14-15-8-6-7-9-17(15)25-21(16)30/h6-9,16H,3-5,10-14,24H2,1-2H3,(H,25,30)(H,26,31,32)/t16-/m1/s1.
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide has a molecular weight of 441.53 g/mol, XLogP of 2.25, 9 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)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 26262516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).