N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

C26H22F2N4O2 — CID 53052371

IUPACN-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C26H22F2N4O2/c27-19-10-8-18(22(28)15-19)16-29-24(33)17-9-11-21-23(14-17)30-26(31-12-4-5-13-31)32(25(21)34)20-6-2-1-3-7-20/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,29,33)
InChIKeyWDMABDYSXKYHDN-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.19
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide

N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (PubChem CID 53052371) has the molecular formula C26H22F2N4O2 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
PubChem CID53052371
Molecular FormulaC26H22F2N4O2
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C26H22F2N4O2/c27-19-10-8-18(22(28)15-19)16-29-24(33)17-9-11-21-23(14-17)30-26(31-12-4-5-13-31)32(25(21)34)20-6-2-1-3-7-20/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,29,33)
InChIKeyWDMABDYSXKYHDN-UHFFFAOYSA-N
XLogP4.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide (CID 53052371) is N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccc2c(=O)n(-c3ccccc3)c(N3CCCC3)nc2c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
The InChIKey is WDMABDYSXKYHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2/c27-19-10-8-18(22(28)15-19)16-29-24(33)17-9-11-21-23(14-17)30-26(31-12-4-5-13-31)32(25(21)34)20-6-2-1-3-7-20/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,29,33).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide is sourced from PubChem (CID 53052371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).