(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

C24H26N4O3 — CID 136793456

IUPAC(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H26N4O3/c1-16(2)28(15-21-25-20-11-7-6-10-19(20)23(30)26-21)24(31)18-12-22(29)27(14-18)13-17-8-4-3-5-9-17/h3-11,16,18H,12-15H2,1-2H3,(H,25,26,30)/t18-/m1/s1
InChIKeyXPBOPLJTYUDFAK-GOSISDBHSA-N
MW418.50 g/mol
LogP2.71
Rot. Bonds6

About (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 136793456) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID136793456
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H26N4O3/c1-16(2)28(15-21-25-20-11-7-6-10-19(20)23(30)26-21)24(31)18-12-22(29)27(14-18)13-17-8-4-3-5-9-17/h3-11,16,18H,12-15H2,1-2H3,(H,25,26,30)/t18-/m1/s1
InChIKeyXPBOPLJTYUDFAK-GOSISDBHSA-N
XLogP2.71
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 135903946
N-benzyl-1-[(2-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183447
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 135956689
N-benzyl-1-(4-ethoxyphenyl)-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 135850115
3-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-pyrrolidin-1-ylbenzamide
CID 135962139
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (CID 136793456) is (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XPBOPLJTYUDFAK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(2)28(15-21-25-20-11-7-6-10-19(20)23(30)26-21)24(31)18-12-22(29)27(14-18)13-17-8-4-3-5-9-17/h3-11,16,18H,12-15H2,1-2H3,(H,25,26,30)/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136793456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).