5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide

C26H22FN5O2 — CID 58829329

IUPAC5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3cc(-c4ccc5nc(N)ncc5c4)ccc3F)ccc21
InChIInChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32)
InChIKeyCPSBEKUNRLHZKJ-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.89
Rot. Bonds3

About 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide

5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide (PubChem CID 58829329) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide
PubChem CID58829329
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3cc(-c4ccc5nc(N)ncc5c4)ccc3F)ccc21
InChIInChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32)
InChIKeyCPSBEKUNRLHZKJ-UHFFFAOYSA-N
XLogP4.89
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide (CID 58829329) is 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide is CC1(C)CC(=O)Nc2cc(NC(=O)c3cc(-c4ccc5nc(N)ncc5c4)ccc3F)ccc21.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide?
The InChIKey is CPSBEKUNRLHZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide?
5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide has a molecular weight of 455.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-fluorobenzamide is sourced from PubChem (CID 58829329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).