N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

C22H22F2N4O2 — CID 50834559

IUPACN-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)NCc1cc(F)cc(F)c1
InChIInChI=1S/C22H22F2N4O2/c23-16-10-15(11-17(24)12-16)13-25-20(29)14-28-19-7-3-2-6-18(19)21(26-22(28)30)27-8-4-1-5-9-27/h2-3,6-7,10-12H,1,4-5,8-9,13-14H2,(H,25,29)
InChIKeyPDXAXPRWOANMTR-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.98
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide

N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (PubChem CID 50834559) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
PubChem CID50834559
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)NCc1cc(F)cc(F)c1
InChIInChI=1S/C22H22F2N4O2/c23-16-10-15(11-17(24)12-16)13-25-20(29)14-28-19-7-3-2-6-18(19)21(26-22(28)30)27-8-4-1-5-9-27/h2-3,6-7,10-12H,1,4-5,8-9,13-14H2,(H,25,29)
InChIKeyPDXAXPRWOANMTR-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
N-[(4-methylphenyl)methyl]-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129653
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50834473
N-(4-bromophenyl)-2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 50834483
2-(9-oxoacridin-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 16622190
N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 51049188
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
2-(3-fluorophenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093862
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide (CID 50834559) is N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is O=C(Cn1c(=O)nc(N2CCCCC2)c2ccccc21)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
The InChIKey is PDXAXPRWOANMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-16-10-15(11-17(24)12-16)13-25-20(29)14-28-19-7-3-2-6-18(19)21(26-22(28)30)27-8-4-1-5-9-27/h2-3,6-7,10-12H,1,4-5,8-9,13-14H2,(H,25,29).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide?
N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide has a molecular weight of 412.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide is sourced from PubChem (CID 50834559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).