N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C19H17F2N3O4 — CID 55575508

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1OC(F)F
InChIInChI=1S/C19H17F2N3O4/c1-11-22-14-6-4-3-5-13(14)18(26)24(11)10-17(25)23-12-7-8-15(27-2)16(9-12)28-19(20)21/h3-9,19H,10H2,1-2H3,(H,23,25)
InChIKeyAEGUCBRQCGOPCI-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55575508) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55575508
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1OC(F)F
InChIInChI=1S/C19H17F2N3O4/c1-11-22-14-6-4-3-5-13(14)18(26)24(11)10-17(25)23-12-7-8-15(27-2)16(9-12)28-19(20)21/h3-9,19H,10H2,1-2H3,(H,23,25)
InChIKeyAEGUCBRQCGOPCI-UHFFFAOYSA-N
XLogP2.95
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55656108
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46530055
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51122954
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535665
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 4793899

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55575508) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is COc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is AEGUCBRQCGOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-11-22-14-6-4-3-5-13(14)18(26)24(11)10-17(25)23-12-7-8-15(27-2)16(9-12)28-19(20)21/h3-9,19H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 389.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55575508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).