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

C22H23Cl2N3O2 — CID 42711898

IUPAC2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C22H23Cl2N3O2/c1-4-12-27(22(29)15-11-10-14(23)13-17(15)24)19(5-2)20-25-18-9-7-6-8-16(18)21(28)26(20)3/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyDOSKFFZXJZWCMJ-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.24
Rot. Bonds6

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

2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide (PubChem CID 42711898) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
PubChem CID42711898
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C22H23Cl2N3O2/c1-4-12-27(22(29)15-11-10-14(23)13-17(15)24)19(5-2)20-25-18-9-7-6-8-16(18)21(28)26(20)3/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyDOSKFFZXJZWCMJ-UHFFFAOYSA-N
XLogP5.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
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-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
CID 42713611
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylcyclopentanecarboxamide
CID 42711907
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4553731

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide (CID 42711898) is 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide?
The InChIKey is DOSKFFZXJZWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-4-12-27(22(29)15-11-10-14(23)13-17(15)24)19(5-2)20-25-18-9-7-6-8-16(18)21(28)26(20)3/h6-11,13,19H,4-5,12H2,1-3H3.
What are the key properties of 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide?
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide has a molecular weight of 432.35 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide is sourced from PubChem (CID 42711898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).