N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C18H15F2N3O4 — CID 55849337

IUPACN-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OC(F)F)c3)ccc2c1=O
InChIInChI=1S/C18H15F2N3O4/c1-2-23-16(25)13-7-6-10(8-14(13)22-18(23)26)15(24)21-11-4-3-5-12(9-11)27-17(19)20/h3-9,17H,2H2,1H3,(H,21,24)(H,22,26)
InChIKeyYHBZAVLLMODLQC-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.56
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 55849337) has the molecular formula C18H15F2N3O4 and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID55849337
Molecular FormulaC18H15F2N3O4
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC NameN-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OC(F)F)c3)ccc2c1=O
InChIInChI=1S/C18H15F2N3O4/c1-2-23-16(25)13-7-6-10(8-14(13)22-18(23)26)15(24)21-11-4-3-5-12(9-11)27-17(19)20/h3-9,17H,2H2,1H3,(H,21,24)(H,22,26)
InChIKeyYHBZAVLLMODLQC-UHFFFAOYSA-N
XLogP2.56
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
CID 55851551
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55813649
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
3-ethyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24605772
N-[[2-(difluoromethoxy)phenyl]methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24611743
1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539179
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 55849337) is N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OC(F)F)c3)ccc2c1=O.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is YHBZAVLLMODLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4/c1-2-23-16(25)13-7-6-10(8-14(13)22-18(23)26)15(24)21-11-4-3-5-12(9-11)27-17(19)20/h3-9,17H,2H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55849337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).