6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one

C24H30ClN3O2 — CID 11704613

IUPAC6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one
SMILESCN(CCCCC(=O)c1ccc2c(c1)CN(C)C(=O)N2C)CCc1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-26(15-13-18-8-4-5-9-21(18)25)14-7-6-10-23(29)19-11-12-22-20(16-19)17-27(2)24(30)28(22)3/h4-5,8-9,11-12,16H,6-7,10,13-15,17H2,1-3H3
InChIKeyVNINJIKRAYXNSB-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.87
Rot. Bonds9

About 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one

6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one (PubChem CID 11704613) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one
PubChem CID11704613
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one
SMILESCN(CCCCC(=O)c1ccc2c(c1)CN(C)C(=O)N2C)CCc1ccccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-26(15-13-18-8-4-5-9-21(18)25)14-7-6-10-23(29)19-11-12-22-20(16-19)17-27(2)24(30)28(22)3/h4-5,8-9,11-12,16H,6-7,10,13-15,17H2,1-3H3
InChIKeyVNINJIKRAYXNSB-UHFFFAOYSA-N
XLogP4.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one?
The IUPAC name of 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one (CID 11704613) is 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one.
What is the SMILES notation for 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one?
The canonical SMILES for 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one is CN(CCCCC(=O)c1ccc2c(c1)CN(C)C(=O)N2C)CCc1ccccc1Cl.
What is the InChIKey of 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one?
The InChIKey is VNINJIKRAYXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-26(15-13-18-8-4-5-9-21(18)25)14-7-6-10-23(29)19-11-12-22-20(16-19)17-27(2)24(30)28(22)3/h4-5,8-9,11-12,16H,6-7,10,13-15,17H2,1-3H3.
What are the key properties of 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one?
6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one has a molecular weight of 427.98 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one is sourced from PubChem (CID 11704613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).