N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide

C15H19N3O4 — CID 171883870

IUPACN-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2nc(C)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O4/c1-8-17-12-4-3-10(7-11(12)15(22)18-8)14(21)13(20)5-6-16-9(2)19/h3-4,7,13-14,20-21H,5-6H2,1-2H3,(H,16,19)(H,17,18,22)
InChIKeyZGASZGWPRQVKPH-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.15
Rot. Bonds5

About N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide

N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide (PubChem CID 171883870) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide
PubChem CID171883870
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2nc(C)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O4/c1-8-17-12-4-3-10(7-11(12)15(22)18-8)14(21)13(20)5-6-16-9(2)19/h3-4,7,13-14,20-21H,5-6H2,1-2H3,(H,16,19)(H,17,18,22)
InChIKeyZGASZGWPRQVKPH-UHFFFAOYSA-N
XLogP0.15
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butyl]acetamide
CID 171883814
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
CID 171883218
6-(4-acetamido-1,2-dihydroxybutyl)-1H-indole-2-carboxylic acid
CID 171883879
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[3,4-dihydroxy-4-(3-nitro-4-oxo-1H-quinolin-6-yl)butyl]acetamide
CID 171884066
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883191
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882533

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide (CID 171883870) is N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc2nc(C)[nH]c(=O)c2c1.
What is the InChIKey of N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide?
The InChIKey is ZGASZGWPRQVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8-17-12-4-3-10(7-11(12)15(22)18-8)14(21)13(20)5-6-16-9(2)19/h3-4,7,13-14,20-21H,5-6H2,1-2H3,(H,16,19)(H,17,18,22).
What are the key properties of N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide?
N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide has a molecular weight of 305.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide is sourced from PubChem (CID 171883870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).