N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H21ClN4O3 — CID 46692737

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C26H21ClN4O3/c1-16-28-22-6-3-2-5-20(22)26(34)31(16)19-11-8-17(9-12-19)25(33)29-18-10-13-23(21(27)15-18)30-14-4-7-24(30)32/h2-3,5-6,8-13,15H,4,7,14H2,1H3,(H,29,33)
InChIKeyNRNBMMPGDJJTIH-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.73
Rot. Bonds4

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 46692737) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID46692737
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1
InChIInChI=1S/C26H21ClN4O3/c1-16-28-22-6-3-2-5-20(22)26(34)31(16)19-11-8-17(9-12-19)25(33)29-18-10-13-23(21(27)15-18)30-14-4-7-24(30)32/h2-3,5-6,8-13,15H,4,7,14H2,1H3,(H,29,33)
InChIKeyNRNBMMPGDJJTIH-UHFFFAOYSA-N
XLogP4.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 46692737) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is NRNBMMPGDJJTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-16-28-22-6-3-2-5-20(22)26(34)31(16)19-11-8-17(9-12-19)25(33)29-18-10-13-23(21(27)15-18)30-14-4-7-24(30)32/h2-3,5-6,8-13,15H,4,7,14H2,1H3,(H,29,33).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 472.93 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 46692737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).