N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide

C21H13F2N3O2 — CID 39314350

IUPACN,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1
InChIInChI=1S/C21H13F2N3O2/c22-15-5-1-3-7-17(15)25-20(27)13-9-10-14-18(11-13)24-12-26(21(14)28)19-8-4-2-6-16(19)23/h1-12H,(H,25,27)
InChIKeySFYJZYCRWDEVNH-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.92
Rot. Bonds3

About N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide

N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 39314350) has the molecular formula C21H13F2N3O2 and a molecular weight of 377.35 g/mol. Its IUPAC name is N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
PubChem CID39314350
Molecular FormulaC21H13F2N3O2
Molecular Weight377.35 g/mol
Exact Mass377.10
IUPAC NameN,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1
InChIInChI=1S/C21H13F2N3O2/c22-15-5-1-3-7-17(15)25-20(27)13-9-10-14-18(11-13)24-12-26(21(14)28)19-8-4-2-6-16(19)23/h1-12H,(H,25,27)
InChIKeySFYJZYCRWDEVNH-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
CID 45495109
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 39333619
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449

Frequently Asked Questions

What is the IUPAC name of N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide (CID 39314350) is N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide is O=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1.
What is the InChIKey of N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is SFYJZYCRWDEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2/c22-15-5-1-3-7-17(15)25-20(27)13-9-10-14-18(11-13)24-12-26(21(14)28)19-8-4-2-6-16(19)23/h1-12H,(H,25,27).
What are the key properties of N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide?
N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39314350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).