N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide

C25H24FN5O4 — CID 46667294

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide
SMILESCOCCN(C(=O)c1cc2ccc(F)cc2nc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H24FN5O4/c1-15-19(12-17-8-9-18(26)13-20(17)28-15)24(33)30(10-11-35-2)21-22(27)31(25(34)29-23(21)32)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14,27H2,1-2H3,(H,29,32,34)
InChIKeyGMCNYCPCMPMBSS-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.46
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide (PubChem CID 46667294) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide
PubChem CID46667294
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide
SMILESCOCCN(C(=O)c1cc2ccc(F)cc2nc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H24FN5O4/c1-15-19(12-17-8-9-18(26)13-20(17)28-15)24(33)30(10-11-35-2)21-22(27)31(25(34)29-23(21)32)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14,27H2,1-2H3,(H,29,32,34)
InChIKeyGMCNYCPCMPMBSS-UHFFFAOYSA-N
XLogP2.46
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide with MolForge

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 26120873
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 27640793
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 31905577
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)acetamide
CID 2366653
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 43059471
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
CID 26119707
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
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-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 2557629
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluoro-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 26439800
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147187

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide (CID 46667294) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide is COCCN(C(=O)c1cc2ccc(F)cc2nc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide?
The InChIKey is GMCNYCPCMPMBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-15-19(12-17-8-9-18(26)13-20(17)28-15)24(33)30(10-11-35-2)21-22(27)31(25(34)29-23(21)32)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14,27H2,1-2H3,(H,29,32,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-7-fluoro-N-(2-methoxyethyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46667294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).