N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide

C24H30ClN5O3 — CID 55478385

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
SMILESCCCCCN(C(=O)c1cc2cc(Cl)ccc2nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H30ClN5O3/c1-4-6-8-12-29(20-21(26)30(11-7-5-2)24(33)28-22(20)31)23(32)18-14-16-13-17(25)9-10-19(16)27-15(18)3/h9-10,13-14H,4-8,11-12,26H2,1-3H3,(H,28,31,33)
InChIKeyFZCXCSBOVLRERM-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.27
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide (PubChem CID 55478385) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
PubChem CID55478385
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
SMILESCCCCCN(C(=O)c1cc2cc(Cl)ccc2nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C24H30ClN5O3/c1-4-6-8-12-29(20-21(26)30(11-7-5-2)24(33)28-22(20)31)23(32)18-14-16-13-17(25)9-10-19(16)27-15(18)3/h9-10,13-14H,4-8,11-12,26H2,1-3H3,(H,28,31,33)
InChIKeyFZCXCSBOVLRERM-UHFFFAOYSA-N
XLogP4.27
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
CID 26205838
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-pentylacetamide
CID 24562984
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55467005
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-(trifluoromethyl)benzamide
CID 26205785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-methoxy-N-pentylbenzamide
CID 26205740
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
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)-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)-7-fluoro-N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
CID 46667311
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylacetamide
CID 55754402

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide (CID 55478385) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide is CCCCCN(C(=O)c1cc2cc(Cl)ccc2nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide?
The InChIKey is FZCXCSBOVLRERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-4-6-8-12-29(20-21(26)30(11-7-5-2)24(33)28-22(20)31)23(32)18-14-16-13-17(25)9-10-19(16)27-15(18)3/h9-10,13-14H,4-8,11-12,26H2,1-3H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 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)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide is sourced from PubChem (CID 55478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).