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

C21H23N3O2 — CID 43035945

IUPACN-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-15-7-4-5-9-17(15)13-23(3)19(25)11-12-24-14-22-20-16(2)8-6-10-18(20)21(24)26/h4-10,14H,11-13H2,1-3H3
InChIKeyDCGJXWSTNDQNJM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.06
Rot. Bonds5

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

N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 43035945) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID43035945
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-15-7-4-5-9-17(15)13-23(3)19(25)11-12-24-14-22-20-16(2)8-6-10-18(20)21(24)26/h4-10,14H,11-13H2,1-3H3
InChIKeyDCGJXWSTNDQNJM-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022555
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 30805636
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 134016250

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 43035945) is N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O.
What is the InChIKey of N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is DCGJXWSTNDQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-4-5-9-17(15)13-23(3)19(25)11-12-24-14-22-20-16(2)8-6-10-18(20)21(24)26/h4-10,14H,11-13H2,1-3H3.
What are the key properties of N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 43035945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).