N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide

C24H24N6O2 — CID 155594052

IUPACN-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
SMILESCC(c1cccc(C(=O)NC2CN(C)C2)c1)n1cnc2ccc(-c3cn[nH]c3)cc2c1=O
InChIInChI=1S/C24H24N6O2/c1-15(16-4-3-5-18(8-16)23(31)28-20-12-29(2)13-20)30-14-25-22-7-6-17(9-21(22)24(30)32)19-10-26-27-11-19/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyUKLFEGHGVCHDTQ-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.44
Rot. Bonds5

About N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide

N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide (PubChem CID 155594052) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
PubChem CID155594052
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
SMILESCC(c1cccc(C(=O)NC2CN(C)C2)c1)n1cnc2ccc(-c3cn[nH]c3)cc2c1=O
InChIInChI=1S/C24H24N6O2/c1-15(16-4-3-5-18(8-16)23(31)28-20-12-29(2)13-20)30-14-25-22-7-6-17(9-21(22)24(30)32)19-10-26-27-11-19/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyUKLFEGHGVCHDTQ-UHFFFAOYSA-N
XLogP2.44
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide?
The IUPAC name of N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide (CID 155594052) is N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide is CC(c1cccc(C(=O)NC2CN(C)C2)c1)n1cnc2ccc(-c3cn[nH]c3)cc2c1=O.
What is the InChIKey of N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide?
The InChIKey is UKLFEGHGVCHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15(16-4-3-5-18(8-16)23(31)28-20-12-29(2)13-20)30-14-25-22-7-6-17(9-21(22)24(30)32)19-10-26-27-11-19/h3-11,14-15,20H,12-13H2,1-2H3,(H,26,27)(H,28,31).
What are the key properties of N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide?
N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide is sourced from PubChem (CID 155594052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).