N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C19H21N3O3 — CID 94798329

IUPACN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc([C@@H](C)NC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1
InChIInChI=1S/C19H21N3O3/c1-11-6-5-7-15-18(11)20-10-22(19(15)24)9-17(23)21-13(3)16-8-12(2)25-14(16)4/h5-8,10,13H,9H2,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeySWCHHFYUWZDICG-CYBMUJFWSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds4

About N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 94798329) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID94798329
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc([C@@H](C)NC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1
InChIInChI=1S/C19H21N3O3/c1-11-6-5-7-15-18(11)20-10-22(19(15)24)9-17(23)21-13(3)16-8-12(2)25-14(16)4/h5-8,10,13H,9H2,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeySWCHHFYUWZDICG-CYBMUJFWSA-N
XLogP2.79
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
CID 27019627
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 27016148
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 55612647
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 94798329) is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cc([C@@H](C)NC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SWCHHFYUWZDICG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-6-5-7-15-18(11)20-10-22(19(15)24)9-17(23)21-13(3)16-8-12(2)25-14(16)4/h5-8,10,13H,9H2,1-4H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 94798329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).