N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23ClN4O2 — CID 46664447

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(c3ccccc3Cl)N(C)C)cnc12
InChIInChI=1S/C21H23ClN4O2/c1-14-7-6-9-16-20(14)24-13-26(21(16)28)12-19(27)23-11-18(25(2)3)15-8-4-5-10-17(15)22/h4-10,13,18H,11-12H2,1-3H3,(H,23,27)
InChIKeyFWGWLDGCACDVRI-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46664447) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID46664447
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(c3ccccc3Cl)N(C)C)cnc12
InChIInChI=1S/C21H23ClN4O2/c1-14-7-6-9-16-20(14)24-13-26(21(16)28)12-19(27)23-11-18(25(2)3)15-8-4-5-10-17(15)22/h4-10,13,18H,11-12H2,1-3H3,(H,23,27)
InChIKeyFWGWLDGCACDVRI-UHFFFAOYSA-N
XLogP2.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 46664447) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCC(c3ccccc3Cl)N(C)C)cnc12.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FWGWLDGCACDVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14-7-6-9-16-20(14)24-13-26(21(16)28)12-19(27)23-11-18(25(2)3)15-8-4-5-10-17(15)22/h4-10,13,18H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 398.89 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).