N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide

C22H24N4O2 — CID 3759033

IUPACN-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCCC1
InChIInChI=1S/C22H24N4O2/c1-15-23-19-13-21(25-10-6-7-11-25)20(24-16(2)27)12-18(19)22(28)26(15)14-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,24,27)
InChIKeyVSPURZAYEGCQRY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.31
Rot. Bonds4

About N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide

N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide (PubChem CID 3759033) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide
PubChem CID3759033
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCCC1
InChIInChI=1S/C22H24N4O2/c1-15-23-19-13-21(25-10-6-7-11-25)20(24-16(2)27)12-18(19)22(28)26(15)14-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,24,27)
InChIKeyVSPURZAYEGCQRY-UHFFFAOYSA-N
XLogP3.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
3-benzyl-2-methyl-6-nitroquinazolin-4-one
CID 1463484
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The IUPAC name of N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide (CID 3759033) is N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The canonical SMILES for N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide is CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCCC1.
What is the InChIKey of N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
The InChIKey is VSPURZAYEGCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-23-19-13-21(25-10-6-7-11-25)20(24-16(2)27)12-18(19)22(28)26(15)14-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,24,27).
What are the key properties of N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide?
N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-methyl-4-oxo-7-pyrrolidin-1-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 3759033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).