N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide

C18H16ClN3O2 — CID 1456564

IUPACN-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-11-20-17-8-7-15(21-12(2)23)9-16(17)18(24)22(11)10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXVUOHNRRYUWDSY-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.37
Rot. Bonds3

About N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide

N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide (PubChem CID 1456564) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide
PubChem CID1456564
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C18H16ClN3O2/c1-11-20-17-8-7-15(21-12(2)23)9-16(17)18(24)22(11)10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXVUOHNRRYUWDSY-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide (CID 1456564) is N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is XVUOHNRRYUWDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-20-17-8-7-15(21-12(2)23)9-16(17)18(24)22(11)10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide?
N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 1456564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).