N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C24H27N5O3 — CID 4793341

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1ccc2c(c1)CCCN2CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27N5O3/c1-16-10-11-19-18(13-16)9-6-12-28(19)15-20(30)27(2)21-22(25)29(24(32)26-23(21)31)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14-15,25H2,1-2H3,(H,26,31,32)
InChIKeyMWUHACCZSFHDLB-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.89
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 4793341) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID4793341
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1ccc2c(c1)CCCN2CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H27N5O3/c1-16-10-11-19-18(13-16)9-6-12-28(19)15-20(30)27(2)21-22(25)29(24(32)26-23(21)31)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14-15,25H2,1-2H3,(H,26,31,32)
InChIKeyMWUHACCZSFHDLB-UHFFFAOYSA-N
XLogP1.89
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 4793341) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1ccc2c(c1)CCCN2CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is MWUHACCZSFHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-10-11-19-18(13-16)9-6-12-28(19)15-20(30)27(2)21-22(25)29(24(32)26-23(21)31)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14-15,25H2,1-2H3,(H,26,31,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 4793341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).