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

C28H27Cl2N3O3 — CID 42723057

IUPAC3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C28H27Cl2N3O3/c1-4-16-32(27(34)18-14-15-20(29)21(30)17-18)23(5-2)26-31-22-11-7-6-10-19(22)28(35)33(26)24-12-8-9-13-25(24)36-3/h6-15,17,23H,4-5,16H2,1-3H3
InChIKeyMIVOHLMJXOODQR-UHFFFAOYSA-N
MW524.45 g/mol
LogP6.70
Rot. Bonds8

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

3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (PubChem CID 42723057) has the molecular formula C28H27Cl2N3O3 and a molecular weight of 524.45 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
PubChem CID42723057
Molecular FormulaC28H27Cl2N3O3
Molecular Weight524.45 g/mol
Exact Mass523.14
IUPAC Name3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C28H27Cl2N3O3/c1-4-16-32(27(34)18-14-15-20(29)21(30)17-18)23(5-2)26-31-22-11-7-6-10-19(22)28(35)33(26)24-12-8-9-13-25(24)36-3/h6-15,17,23H,4-5,16H2,1-3H3
InChIKeyMIVOHLMJXOODQR-UHFFFAOYSA-N
XLogP6.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.45
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
CID 42723052
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
3,4-dichloro-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 5187207
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
2,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723385
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42720870
N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723044
3,4-dichloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4312469
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The IUPAC name of 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide (CID 42723057) is 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is CCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
The InChIKey is MIVOHLMJXOODQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O3/c1-4-16-32(27(34)18-14-15-20(29)21(30)17-18)23(5-2)26-31-22-11-7-6-10-19(22)28(35)33(26)24-12-8-9-13-25(24)36-3/h6-15,17,23H,4-5,16H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide?
3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide has a molecular weight of 524.45 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide is sourced from PubChem (CID 42723057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).