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

C19H19N3O2 — CID 4809022

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)11-21(2)18(23)12-22-13-20-17-6-4-3-5-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyFJNKOKAPXQLDDP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.36
Rot. Bonds4

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

N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 4809022) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID4809022
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)11-21(2)18(23)12-22-13-20-17-6-4-3-5-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyFJNKOKAPXQLDDP-UHFFFAOYSA-N
XLogP2.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 30510117
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
N-methyl-2-(4-oxoquinazolin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91770731
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
N-[(4-cyanophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 39860769
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 4809022) is N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FJNKOKAPXQLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-9-15(10-8-14)11-21(2)18(23)12-22-13-20-17-6-4-3-5-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4809022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).