2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide

C30H32ClN3O4 — CID 42721500

IUPAC2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CC(C)C)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H32ClN3O4/c1-5-37-24-16-12-23(13-17-24)34-29(32-27-9-7-6-8-26(27)30(34)36)21(4)33(18-20(2)3)28(35)19-38-25-14-10-22(31)11-15-25/h6-17,20-21H,5,18-19H2,1-4H3
InChIKeyNTGYZFHUUCREDA-UHFFFAOYSA-N
MW534.06 g/mol
LogP6.06
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide

2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide (PubChem CID 42721500) has the molecular formula C30H32ClN3O4 and a molecular weight of 534.06 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
PubChem CID42721500
Molecular FormulaC30H32ClN3O4
Molecular Weight534.06 g/mol
Exact Mass533.21
IUPAC Name2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CC(C)C)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H32ClN3O4/c1-5-37-24-16-12-23(13-17-24)34-29(32-27-9-7-6-8-26(27)30(34)36)21(4)33(18-20(2)3)28(35)19-38-25-14-10-22(31)11-15-25/h6-17,20-21H,5,18-19H2,1-4H3
InChIKeyNTGYZFHUUCREDA-UHFFFAOYSA-N
XLogP6.06
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.06
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide with MolForge

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Related Compounds

4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42721670
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42721505
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42721522
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 3987669
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42721528
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42717939
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide (CID 42721500) is 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide is CCOc1ccc(-n2c(C(C)N(CC(C)C)C(=O)COc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide?
The InChIKey is NTGYZFHUUCREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O4/c1-5-37-24-16-12-23(13-17-24)34-29(32-27-9-7-6-8-26(27)30(34)36)21(4)33(18-20(2)3)28(35)19-38-25-14-10-22(31)11-15-25/h6-17,20-21H,5,18-19H2,1-4H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide?
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide has a molecular weight of 534.06 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 42721500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).