N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide

C22H22ClFN4O2 — CID 92896946

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
SMILESC[C@H]1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)c3ccccc23)C1
InChIInChI=1S/C22H22ClFN4O2/c1-14-5-4-10-27(12-14)21-16-6-2-3-7-19(16)28(22(30)26-21)13-20(29)25-18-9-8-15(24)11-17(18)23/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyYOTUNDDIWBXVFE-AWEZNQCLSA-N
MW428.90 g/mol
LogP4.06
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide (PubChem CID 92896946) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
PubChem CID92896946
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
SMILESC[C@H]1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)c3ccccc23)C1
InChIInChI=1S/C22H22ClFN4O2/c1-14-5-4-10-27(12-14)21-16-6-2-3-7-19(16)28(22(30)26-21)13-20(29)25-18-9-8-15(24)11-17(18)23/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyYOTUNDDIWBXVFE-AWEZNQCLSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896918
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
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
N-(2-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]acetamide
CID 53129631
ethyl 4-[[2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetyl]amino]benzoate
CID 92896926
N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 95092261
N-[(3,5-difluorophenyl)methyl]-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834559
N-(2-chloro-4-fluorophenyl)-2-[[2-[(3R)-3-methylpiperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 93072215
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396969
N-(3,4-dimethylphenyl)-2-(2-oxo-4-piperidin-1-ylquinazolin-1-yl)acetamide
CID 50834634
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-9-oxoacridin-10-yl)acetamide
CID 6616650

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide (CID 92896946) is N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide is C[C@H]1CCCN(c2nc(=O)n(CC(=O)Nc3ccc(F)cc3Cl)c3ccccc23)C1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
The InChIKey is YOTUNDDIWBXVFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c1-14-5-4-10-27(12-14)21-16-6-2-3-7-19(16)28(22(30)26-21)13-20(29)25-18-9-8-15(24)11-17(18)23/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,25,29)/t14-/m0/s1.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide has a molecular weight of 428.90 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 92896946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).