N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide

C28H31N5O3 — CID 24981700

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H31N5O3/c1-17(2)15-32(24(34)14-22-18(3)21-12-8-9-13-23(21)30-19(22)4)25-26(29)33(28(36)31-27(25)35)16-20-10-6-5-7-11-20/h5-13,17H,14-16,29H2,1-4H3,(H,31,35,36)
InChIKeyBBSBBSTVZXIAEP-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.56
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 24981700) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID24981700
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H31N5O3/c1-17(2)15-32(24(34)14-22-18(3)21-12-8-9-13-23(21)30-19(22)4)25-26(29)33(28(36)31-27(25)35)16-20-10-6-5-7-11-20/h5-13,17H,14-16,29H2,1-4H3,(H,31,35,36)
InChIKeyBBSBBSTVZXIAEP-UHFFFAOYSA-N
XLogP3.56
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.56
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)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide (CID 24981700) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)N(CC(C)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)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is BBSBBSTVZXIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-17(2)15-32(24(34)14-22-18(3)21-12-8-9-13-23(21)30-19(22)4)25-26(29)33(28(36)31-27(25)35)16-20-10-6-5-7-11-20/h5-13,17H,14-16,29H2,1-4H3,(H,31,35,36).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 3.56, 7 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)-2-(2,4-dimethylquinolin-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24981700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).