2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide

C23H26Cl2N4O2 — CID 42714610

IUPAC2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCN(C)C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N4O2/c1-5-20(21-26-19-9-7-6-8-17(19)22(30)28(21)4)29(13-12-27(2)3)23(31)16-11-10-15(24)14-18(16)25/h6-11,14,20H,5,12-13H2,1-4H3
InChIKeyHIGDZMQAYZBVNL-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.40
Rot. Bonds7

About 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide

2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide (PubChem CID 42714610) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
PubChem CID42714610
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCN(C)C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N4O2/c1-5-20(21-26-19-9-7-6-8-17(19)22(30)28(21)4)29(13-12-27(2)3)23(31)16-11-10-15(24)14-18(16)25/h6-11,14,20H,5,12-13H2,1-4H3
InChIKeyHIGDZMQAYZBVNL-UHFFFAOYSA-N
XLogP4.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
CID 3505140
3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714465
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
4-tert-butyl-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 3331306
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide (CID 42714610) is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide is CCC(c1nc2ccccc2c(=O)n1C)N(CCN(C)C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
The InChIKey is HIGDZMQAYZBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-5-20(21-26-19-9-7-6-8-17(19)22(30)28(21)4)29(13-12-27(2)3)23(31)16-11-10-15(24)14-18(16)25/h6-11,14,20H,5,12-13H2,1-4H3.
What are the key properties of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide?
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide has a molecular weight of 461.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide is sourced from PubChem (CID 42714610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).