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

C20H20ClN3O2 — CID 1456603

IUPACN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide
SMILESCCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-4-19-23-18-10-9-16(22-13(2)25)11-17(18)20(26)24(19)12-14-5-7-15(21)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyCISYBIDQEZDFMJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.01
Rot. Bonds5

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

N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide (PubChem CID 1456603) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide
PubChem CID1456603
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide
SMILESCCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-4-19-23-18-10-9-16(22-13(2)25)11-17(18)20(26)24(19)12-14-5-7-15(21)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyCISYBIDQEZDFMJ-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.01
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]-4-oxo-2-propylquinazolin-6-yl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide (CID 1456603) is N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide is CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide?
The InChIKey is CISYBIDQEZDFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-4-19-23-18-10-9-16(22-13(2)25)11-17(18)20(26)24(19)12-14-5-7-15(21)8-6-14/h5-11H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide?
N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.01, 5 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]-4-oxo-2-propylquinazolin-6-yl]acetamide is sourced from PubChem (CID 1456603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).