N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide

C21H23N3O2 — CID 46550537

IUPACN-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccccc1C
InChIInChI=1S/C21H23N3O2/c1-4-24(18-11-6-5-8-15(18)2)19(25)12-13-23-14-22-20-16(3)9-7-10-17(20)21(23)26/h5-11,14H,4,12-13H2,1-3H3
InChIKeyQRANLTGZRXYVNF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.46
Rot. Bonds5

About N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide

N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide (PubChem CID 46550537) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
PubChem CID46550537
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
SMILESCCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccccc1C
InChIInChI=1S/C21H23N3O2/c1-4-24(18-11-6-5-8-15(18)2)19(25)12-13-23-14-22-20-16(3)9-7-10-17(20)21(23)26/h5-11,14H,4,12-13H2,1-3H3
InChIKeyQRANLTGZRXYVNF-UHFFFAOYSA-N
XLogP3.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 134016250
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide (CID 46550537) is N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide is CCN(C(=O)CCn1cnc2c(C)cccc2c1=O)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is QRANLTGZRXYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(18-11-6-5-8-15(18)2)19(25)12-13-23-14-22-20-16(3)9-7-10-17(20)21(23)26/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide?
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 46550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).