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

C20H18ClN3O2 — CID 1456617

IUPACN-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C20H18ClN3O2/c1-12(25)22-16-8-9-18-17(10-16)20(26)24(19(23-18)14-4-5-14)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,22,25)
InChIKeyFRFHHSOGFHNAQL-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.93
Rot. Bonds4

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

N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide (PubChem CID 1456617) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide
PubChem CID1456617
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C20H18ClN3O2/c1-12(25)22-16-8-9-18-17(10-16)20(26)24(19(23-18)14-4-5-14)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,22,25)
InChIKeyFRFHHSOGFHNAQL-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.93
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-cyclopropyl-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide (CID 1456617) is N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is FRFHHSOGFHNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12(25)22-16-8-9-18-17(10-16)20(26)24(19(23-18)14-4-5-14)11-13-2-6-15(21)7-3-13/h2-3,6-10,14H,4-5,11H2,1H3,(H,22,25).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide?
N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 367.84 g/mol, XLogP of 3.93, 4 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-cyclopropyl-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 1456617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).