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

C17H19N3O3 — CID 84584813

IUPACN-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1occc1C
InChIInChI=1S/C17H19N3O3/c1-11-8-9-23-15(11)16-19(3)17(22)12-6-4-5-7-13(12)20(16)10-14(21)18-2/h4-9,16H,10H2,1-3H3,(H,18,21)
InChIKeyYVJKDMJGSCPJKI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.92
Rot. Bonds3

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

N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide (PubChem CID 84584813) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
PubChem CID84584813
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1occc1C
InChIInChI=1S/C17H19N3O3/c1-11-8-9-23-15(11)16-19(3)17(22)12-6-4-5-7-13(12)20(16)10-14(21)18-2/h4-9,16H,10H2,1-3H3,(H,18,21)
InChIKeyYVJKDMJGSCPJKI-UHFFFAOYSA-N
XLogP1.92
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 47025358
N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
CID 124829810
2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 71897725
2-[(2R)-2-(4-bromothiophen-2-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 30872763
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 94065470
2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55598140
2-[2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 47025350
2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51936715
2-[(2S)-2-[2-(diethylamino)-1,3-thiazol-5-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51966208
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55599170
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412
2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
CID 70783242

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide (CID 84584813) is N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1occc1C.
What is the InChIKey of N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide?
The InChIKey is YVJKDMJGSCPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-8-9-23-15(11)16-19(3)17(22)12-6-4-5-7-13(12)20(16)10-14(21)18-2/h4-9,16H,10H2,1-3H3,(H,18,21).
What are the key properties of N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide?
N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide is sourced from PubChem (CID 84584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).