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

C21H24N4O3 — CID 8538765

IUPAC2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCOc1ccc(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1
InChIInChI=1S/C21H24N4O3/c1-3-28-16-10-8-15(9-11-16)12-24(2)14-20-23-18-7-5-4-6-17(18)21(27)25(20)13-19(22)26/h4-11H,3,12-14H2,1-2H3,(H2,22,26)
InChIKeySDUXEAAOLFHGQL-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.91
Rot. Bonds8

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

2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 8538765) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID8538765
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCOc1ccc(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1
InChIInChI=1S/C21H24N4O3/c1-3-28-16-10-8-15(9-11-16)12-24(2)14-20-23-18-7-5-4-6-17(18)21(27)25(20)13-19(22)26/h4-11H,3,12-14H2,1-2H3,(H2,22,26)
InChIKeySDUXEAAOLFHGQL-UHFFFAOYSA-N
XLogP1.91
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8680424
2-[2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 24681168
2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8810130
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
2-[2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 24591180
2-[2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565387
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 8681201
3-amino-2-[4-[(4-ethoxyphenoxy)methyl]phenyl]quinazolin-4-one
CID 4583709
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (CID 8538765) is 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is CCOc1ccc(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1.
What is the InChIKey of 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is SDUXEAAOLFHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-28-16-10-8-15(9-11-16)12-24(2)14-20-23-18-7-5-4-6-17(18)21(27)25(20)13-19(22)26/h4-11H,3,12-14H2,1-2H3,(H2,22,26).
What are the key properties of 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 8538765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).