2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide

C23H27N5O3 — CID 8810130

IUPAC2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)n1CC(N)=O
InChIInChI=1S/C23H27N5O3/c1-3-12-27(15-22(30)26-18-10-6-4-8-16(18)2)14-21-25-19-11-7-5-9-17(19)23(31)28(21)13-20(24)29/h4-11H,3,12-15H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyJMLSEXKXZHLWBR-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.04
Rot. Bonds9

About 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide

2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 8810130) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID8810130
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)n1CC(N)=O
InChIInChI=1S/C23H27N5O3/c1-3-12-27(15-22(30)26-18-10-6-4-8-16(18)2)14-21-25-19-11-7-5-9-17(19)23(31)28(21)13-20(24)29/h4-11H,3,12-15H2,1-2H3,(H2,24,29)(H,26,30)
InChIKeyJMLSEXKXZHLWBR-UHFFFAOYSA-N
XLogP2.04
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 24681168
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8680424
2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8538765
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (CID 8810130) is 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)n1CC(N)=O.
What is the InChIKey of 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is JMLSEXKXZHLWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-12-27(15-22(30)26-18-10-6-4-8-16(18)2)14-21-25-19-11-7-5-9-17(19)23(31)28(21)13-20(24)29/h4-11H,3,12-15H2,1-2H3,(H2,24,29)(H,26,30).
What are the key properties of 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 8810130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).