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

C27H24Cl3N3O2 — CID 4018495

IUPAC2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H24Cl3N3O2/c1-3-15-32(26(34)20-14-11-18(29)16-22(20)30)24(4-2)25-31-23-8-6-5-7-21(23)27(35)33(25)19-12-9-17(28)10-13-19/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyMUJYXDORTHOBGD-UHFFFAOYSA-N
MW528.87 g/mol
LogP7.35
Rot. Bonds7

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

2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (PubChem CID 4018495) has the molecular formula C27H24Cl3N3O2 and a molecular weight of 528.87 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
PubChem CID4018495
Molecular FormulaC27H24Cl3N3O2
Molecular Weight528.87 g/mol
Exact Mass527.09
IUPAC Name2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C27H24Cl3N3O2/c1-3-15-32(26(34)20-14-11-18(29)16-22(20)30)24(4-2)25-31-23-8-6-5-7-21(23)27(35)33(25)19-12-9-17(28)10-13-19/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyMUJYXDORTHOBGD-UHFFFAOYSA-N
XLogP7.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.87
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997
2,4-dichloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42711898
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
2,4-dichloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 5197120
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
4-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42718880

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The IUPAC name of 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (CID 4018495) is 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The InChIKey is MUJYXDORTHOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl3N3O2/c1-3-15-32(26(34)20-14-11-18(29)16-22(20)30)24(4-2)25-31-23-8-6-5-7-21(23)27(35)33(25)19-12-9-17(28)10-13-19/h5-14,16,24H,3-4,15H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide has a molecular weight of 528.87 g/mol, XLogP of 7.35, 7 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-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is sourced from PubChem (CID 4018495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).