2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide

C24H15FN4O3 — CID 170772410

IUPAC2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide
SMILESNC(=O)c1ccccc1-c1cc2[nH]c(=O)n(-c3cncc4ccccc34)c(=O)c2cc1F
InChIInChI=1S/C24H15FN4O3/c25-19-9-18-20(10-17(19)15-7-3-4-8-16(15)22(26)30)28-24(32)29(23(18)31)21-12-27-11-13-5-1-2-6-14(13)21/h1-12H,(H2,26,30)(H,28,32)
InChIKeyIUKMEEFAUDSMRN-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.13
Rot. Bonds3

About 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide

2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide (PubChem CID 170772410) has the molecular formula C24H15FN4O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide.

Molecular Properties

Compound Name2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide
PubChem CID170772410
Molecular FormulaC24H15FN4O3
Molecular Weight426.41 g/mol
Exact Mass426.11
IUPAC Name2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide
SMILESNC(=O)c1ccccc1-c1cc2[nH]c(=O)n(-c3cncc4ccccc34)c(=O)c2cc1F
InChIInChI=1S/C24H15FN4O3/c25-19-9-18-20(10-17(19)15-7-3-4-8-16(15)22(26)30)28-24(32)29(23(18)31)21-12-27-11-13-5-1-2-6-14(13)21/h1-12H,(H2,26,30)(H,28,32)
InChIKeyIUKMEEFAUDSMRN-UHFFFAOYSA-N
XLogP3.13
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide?
The IUPAC name of 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide (CID 170772410) is 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide.
What is the SMILES notation for 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide?
The canonical SMILES for 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide is NC(=O)c1ccccc1-c1cc2[nH]c(=O)n(-c3cncc4ccccc34)c(=O)c2cc1F.
What is the InChIKey of 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide?
The InChIKey is IUKMEEFAUDSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4O3/c25-19-9-18-20(10-17(19)15-7-3-4-8-16(15)22(26)30)28-24(32)29(23(18)31)21-12-27-11-13-5-1-2-6-14(13)21/h1-12H,(H2,26,30)(H,28,32).
What are the key properties of 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide?
2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide has a molecular weight of 426.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzamide is sourced from PubChem (CID 170772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).