N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23N3O3 — CID 27823117

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ccc(CN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-4-27-17-10-8-16(9-11-17)12-23(3)19(25)13-24-14-22-20-15(2)6-5-7-18(20)21(24)26/h5-11,14H,4,12-13H2,1-3H3
InChIKeyWJXWPBDOBUESBG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.76
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 27823117) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID27823117
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCOc1ccc(CN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-4-27-17-10-8-16(9-11-17)12-23(3)19(25)13-24-14-22-20-15(2)6-5-7-18(20)21(24)26/h5-11,14H,4,12-13H2,1-3H3
InChIKeyWJXWPBDOBUESBG-UHFFFAOYSA-N
XLogP2.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 39860769
N-[(3-chlorophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27795386
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022555
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-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
N-benzyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 37428295
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 27823117) is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is CCOc1ccc(CN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WJXWPBDOBUESBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-27-17-10-8-16(9-11-17)12-23(3)19(25)13-24-14-22-20-15(2)6-5-7-18(20)21(24)26/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 27823117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).