2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide

C23H24N4O3 — CID 55643698

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-15-7-5-9-17-20(15)24-14-27(23(17)30)13-19(28)25-21-16(2)8-6-10-18(21)22(29)26-11-3-4-12-26/h5-10,14H,3-4,11-13H2,1-2H3,(H,25,28)
InChIKeyDNLLRQJDSQAWGY-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.89
Rot. Bonds4

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 55643698) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID55643698
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H24N4O3/c1-15-7-5-9-17-20(15)24-14-27(23(17)30)13-19(28)25-21-16(2)8-6-10-18(21)22(29)26-11-3-4-12-26/h5-10,14H,3-4,11-13H2,1-2H3,(H,25,28)
InChIKeyDNLLRQJDSQAWGY-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27023613
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 24529096
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55873797

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 55643698) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is DNLLRQJDSQAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-7-5-9-17-20(15)24-14-27(23(17)30)13-19(28)25-21-16(2)8-6-10-18(21)22(29)26-11-3-4-12-26/h5-10,14H,3-4,11-13H2,1-2H3,(H,25,28).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55643698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).