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

C28H27Cl2N3O2 — CID 42722668

IUPAC2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCc1ccc(-n2c(C(CC)N(CC)C(=O)c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H27Cl2N3O2/c1-4-18-11-14-20(15-12-18)33-26(31-24-10-8-7-9-22(24)28(33)35)25(5-2)32(6-3)27(34)21-16-13-19(29)17-23(21)30/h7-17,25H,4-6H2,1-3H3
InChIKeyCPDNXLBCZVCFPE-UHFFFAOYSA-N
MW508.45 g/mol
LogP6.87
Rot. Bonds7

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

2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (PubChem CID 42722668) has the molecular formula C28H27Cl2N3O2 and a molecular weight of 508.45 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
PubChem CID42722668
Molecular FormulaC28H27Cl2N3O2
Molecular Weight508.45 g/mol
Exact Mass507.15
IUPAC Name2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
SMILESCCc1ccc(-n2c(C(CC)N(CC)C(=O)c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H27Cl2N3O2/c1-4-18-11-14-20(15-12-18)33-26(31-24-10-8-7-9-22(24)28(33)35)25(5-2)32(6-3)27(34)21-16-13-19(29)17-23(21)30/h7-17,25H,4-6H2,1-3H3
InChIKeyCPDNXLBCZVCFPE-UHFFFAOYSA-N
XLogP6.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.45
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
2,4-dichloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4561997
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 42722682
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 3343072
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
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide (CID 42722668) is 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is CCc1ccc(-n2c(C(CC)N(CC)C(=O)c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
The InChIKey is CPDNXLBCZVCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O2/c1-4-18-11-14-20(15-12-18)33-26(31-24-10-8-7-9-22(24)28(33)35)25(5-2)32(6-3)27(34)21-16-13-19(29)17-23(21)30/h7-17,25H,4-6H2,1-3H3.
What are the key properties of 2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide?
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide has a molecular weight of 508.45 g/mol, XLogP of 6.87, 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-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide is sourced from PubChem (CID 42722668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).