N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C20H19F2N3O3 — CID 17421069

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3ccc(OC(F)F)cc3)cnc12
InChIInChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26)
InChIKeyWEUURVDRAOHVLV-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.67
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 17421069) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID17421069
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3ccc(OC(F)F)cc3)cnc12
InChIInChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26)
InChIKeyWEUURVDRAOHVLV-UHFFFAOYSA-N
XLogP2.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 17421069) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(OC(F)F)cc3)cnc12.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WEUURVDRAOHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-13-3-2-4-16-18(13)24-12-25(19(16)27)11-17(26)23-10-9-14-5-7-15(8-6-14)28-20(21)22/h2-8,12,20H,9-11H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 17421069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).