3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

C23H26N4O2 — CID 53052428

IUPAC3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C23H26N4O2/c1-2-12-24-21(28)18-10-11-19-20(15-18)25-23(26-13-6-7-14-26)27(22(19)29)16-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16H2,1H3,(H,24,28)
InChIKeyXZQUBSJFKZNGHP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.18
Rot. Bonds6

About 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 53052428) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID53052428
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C23H26N4O2/c1-2-12-24-21(28)18-10-11-19-20(15-18)25-23(26-13-6-7-14-26)27(22(19)29)16-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16H2,1H3,(H,24,28)
InChIKeyXZQUBSJFKZNGHP-UHFFFAOYSA-N
XLogP3.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-(2-phenylethyl)-N-propylquinazoline-7-carboxamide
CID 46284183
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
CID 46360954
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
4-[[2-[(3-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 46351042
3-benzyl-2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
CID 46360952
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
methyl 4-[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate
CID 46284165

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 53052428) is 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is CCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(N3CCCC3)nc2c1.
What is the InChIKey of 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is XZQUBSJFKZNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-12-24-21(28)18-10-11-19-20(15-18)25-23(26-13-6-7-14-26)27(22(19)29)16-17-8-4-3-5-9-17/h3-5,8-11,15H,2,6-7,12-14,16H2,1H3,(H,24,28).
What are the key properties of 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 53052428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).