2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide

C23H27N3O3 — CID 71956412

IUPAC2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1c(=O)n(Cc2ccccc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H27N3O3/c1-5-16(3)24-21(27)17(4)26-20-12-11-15(2)13-19(20)22(28)25(23(26)29)14-18-9-7-6-8-10-18/h6-13,16-17H,5,14H2,1-4H3,(H,24,27)
InChIKeyJPIYAOFGCFCOOP-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide

2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide (PubChem CID 71956412) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide
PubChem CID71956412
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1c(=O)n(Cc2ccccc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H27N3O3/c1-5-16(3)24-21(27)17(4)26-20-12-11-15(2)13-19(20)22(28)25(23(26)29)14-18-9-7-6-8-10-18/h6-13,16-17H,5,14H2,1-4H3,(H,24,27)
InChIKeyJPIYAOFGCFCOOP-UHFFFAOYSA-N
XLogP3.00
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925312
N-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159051
4-benzyl-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 20755137
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 92884774
2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
CID 71959526
N-[(2R)-butan-2-yl]-2-[6-[(3-methylphenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 95098165
4-benzyl-N-butan-2-yl-2-[(2-fluorophenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775272
N-butan-2-yl-2-[3-[(2-chlorophenyl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 53022793
6-methyl-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-2,4-dione
CID 123901902
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide (CID 71956412) is 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)n1c(=O)n(Cc2ccccc2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide?
The InChIKey is JPIYAOFGCFCOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-16(3)24-21(27)17(4)26-20-12-11-15(2)13-19(20)22(28)25(23(26)29)14-18-9-7-6-8-10-18/h6-13,16-17H,5,14H2,1-4H3,(H,24,27).
What are the key properties of 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide?
2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide is sourced from PubChem (CID 71956412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).