N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide

C16H21N3O4 — CID 91759909

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
SMILESCN1Cc2ccccc2N(CC(=O)N[C@@H]2COCC[C@H]2O)C1=O
InChIInChI=1S/C16H21N3O4/c1-18-8-11-4-2-3-5-13(11)19(16(18)22)9-15(21)17-12-10-23-7-6-14(12)20/h2-5,12,14,20H,6-10H2,1H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyLJIJPNGAJRUMPR-TZMCWYRMSA-N
MW319.36 g/mol
LogP0.32
Rot. Bonds3

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide (PubChem CID 91759909) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
PubChem CID91759909
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
SMILESCN1Cc2ccccc2N(CC(=O)N[C@@H]2COCC[C@H]2O)C1=O
InChIInChI=1S/C16H21N3O4/c1-18-8-11-4-2-3-5-13(11)19(16(18)22)9-15(21)17-12-10-23-7-6-14(12)20/h2-5,12,14,20H,6-10H2,1H3,(H,17,21)/t12-,14-/m1/s1
InChIKeyLJIJPNGAJRUMPR-TZMCWYRMSA-N
XLogP0.32
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)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

3-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]-4H-quinazolin-2-one
CID 104751611
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91768208
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853
(3S,4S)-4-cyclopropyl-1-[2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 72857568
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 91773534
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 70708192
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
CID 110214253
tert-butyl 3-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 116662774
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4H-quinazolin-2-one
CID 102735246
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide (CID 91759909) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide is CN1Cc2ccccc2N(CC(=O)N[C@@H]2COCC[C@H]2O)C1=O.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide?
The InChIKey is LJIJPNGAJRUMPR-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-18-8-11-4-2-3-5-13(11)19(16(18)22)9-15(21)17-12-10-23-7-6-14(12)20/h2-5,12,14,20H,6-10H2,1H3,(H,17,21)/t12-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide is sourced from PubChem (CID 91759909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).