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

C25H29N5O3 — CID 4793334

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H29N5O3/c1-3-29(21(31)16-28-13-7-10-19-14-17(2)11-12-20(19)28)22-23(26)30(25(33)27-24(22)32)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,3,7,10,13,15-16,26H2,1-2H3,(H,27,32,33)
InChIKeyXVFYCECFOIXLNA-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.28
Rot. Bonds6

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

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 4793334) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-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-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID4793334
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H29N5O3/c1-3-29(21(31)16-28-13-7-10-19-14-17(2)11-12-20(19)28)22-23(26)30(25(33)27-24(22)32)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,3,7,10,13,15-16,26H2,1-2H3,(H,27,32,33)
InChIKeyXVFYCECFOIXLNA-UHFFFAOYSA-N
XLogP2.28
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.28
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-ethyl-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-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 4793334) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-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-ethyl-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-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is CCN(C(=O)CN1CCCc2cc(C)ccc21)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-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is XVFYCECFOIXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-29(21(31)16-28-13-7-10-19-14-17(2)11-12-20(19)28)22-23(26)30(25(33)27-24(22)32)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,3,7,10,13,15-16,26H2,1-2H3,(H,27,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.28, 6 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-ethyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 4793334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).