N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide

C20H21N3O2 — CID 53159145

IUPACN-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCn1c(CCNC(=O)c2ccccc2)nc2c(C)cccc2c1=O
InChIInChI=1S/C20H21N3O2/c1-3-23-17(12-13-21-19(24)15-9-5-4-6-10-15)22-18-14(2)8-7-11-16(18)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyPCHYQVSAYJAMTH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide

N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 53159145) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID53159145
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCn1c(CCNC(=O)c2ccccc2)nc2c(C)cccc2c1=O
InChIInChI=1S/C20H21N3O2/c1-3-23-17(12-13-21-19(24)15-9-5-4-6-10-15)22-18-14(2)8-7-11-16(18)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyPCHYQVSAYJAMTH-UHFFFAOYSA-N
XLogP2.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 53159145) is N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is CCn1c(CCNC(=O)c2ccccc2)nc2c(C)cccc2c1=O.
What is the InChIKey of N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is PCHYQVSAYJAMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23-17(12-13-21-19(24)15-9-5-4-6-10-15)22-18-14(2)8-7-11-16(18)20(23)25/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 53159145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).