N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide

C18H23N3O3 — CID 137216385

IUPACN-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCOC1C
InChIInChI=1S/C18H23N3O3/c1-3-21(18(23)13-8-6-10-24-12(13)2)11-16-19-15-9-5-4-7-14(15)17(22)20-16/h4-5,7,9,12-13H,3,6,8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyQPWFDFZIVVLLDN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide

N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide (PubChem CID 137216385) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
PubChem CID137216385
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCOC1C
InChIInChI=1S/C18H23N3O3/c1-3-21(18(23)13-8-6-10-24-12(13)2)11-16-19-15-9-5-4-7-14(15)17(22)20-16/h4-5,7,9,12-13H,3,6,8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyQPWFDFZIVVLLDN-UHFFFAOYSA-N
XLogP2.09
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide 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

trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
trans-(1R,2S)-2-(aminomethyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentane-1-carboxamide
CID 137131249
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-3-carboxamide
CID 137078511
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-ethyl-1-(furan-2-carbonyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137315312
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide (CID 137216385) is N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCCOC1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide?
The InChIKey is QPWFDFZIVVLLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-21(18(23)13-8-6-10-24-12(13)2)11-16-19-15-9-5-4-7-14(15)17(22)20-16/h4-5,7,9,12-13H,3,6,8,10-11H2,1-2H3,(H,19,20,22).
What are the key properties of N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide?
N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 137216385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).