1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride

C20H23Cl2N3O2 — CID 23623986

IUPAC1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride
SMILESCCC(N)(CC)C(=O)N1CN(c2cccc(Cl)c2)C(=O)c2ccccc21.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-3-20(22,4-2)19(26)24-13-23(15-9-7-8-14(21)12-15)18(25)16-10-5-6-11-17(16)24;/h5-12H,3-4,13,22H2,1-2H3;1H
InChIKeyUTPFTCYEDXMMFK-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride

1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride (PubChem CID 23623986) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride
PubChem CID23623986
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride
SMILESCCC(N)(CC)C(=O)N1CN(c2cccc(Cl)c2)C(=O)c2ccccc21.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-3-20(22,4-2)19(26)24-13-23(15-9-7-8-14(21)12-15)18(25)16-10-5-6-11-17(16)24;/h5-12H,3-4,13,22H2,1-2H3;1H
InChIKeyUTPFTCYEDXMMFK-UHFFFAOYSA-N
XLogP4.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride?
The IUPAC name of 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride (CID 23623986) is 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride is CCC(N)(CC)C(=O)N1CN(c2cccc(Cl)c2)C(=O)c2ccccc21.Cl.
What is the InChIKey of 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride?
The InChIKey is UTPFTCYEDXMMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-3-20(22,4-2)19(26)24-13-23(15-9-7-8-14(21)12-15)18(25)16-10-5-6-11-17(16)24;/h5-12H,3-4,13,22H2,1-2H3;1H.
What are the key properties of 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride?
1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutanoyl)-3-(3-chlorophenyl)-2H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 23623986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).