N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C20H21N3O2 — CID 26004666

IUPACN-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(C)Cc3ccccc3)cnc12
InChIInChI=1S/C20H21N3O2/c1-15-7-6-10-17-19(15)21-14-23(20(17)25)12-11-18(24)22(2)13-16-8-4-3-5-9-16/h3-10,14H,11-13H2,1-2H3
InChIKeyCVCPHHPZSWTTKY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds5

About N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 26004666) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID26004666
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(C)Cc3ccccc3)cnc12
InChIInChI=1S/C20H21N3O2/c1-15-7-6-10-17-19(15)21-14-23(20(17)25)12-11-18(24)22(2)13-16-8-4-3-5-9-16/h3-10,14H,11-13H2,1-2H3
InChIKeyCVCPHHPZSWTTKY-UHFFFAOYSA-N
XLogP2.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
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
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-(3-amino-3-oxopropyl)-N-benzyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 134016250
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 30805636
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N-[(3-chlorophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27795386
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-[(4-cyanophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 39860769

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 26004666) is N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3ccccc3)cnc12.
What is the InChIKey of N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is CVCPHHPZSWTTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-7-6-10-17-19(15)21-14-23(20(17)25)12-11-18(24)22(2)13-16-8-4-3-5-9-16/h3-10,14H,11-13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 26004666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).