2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide

C29H30ClN3O2 — CID 42722682

IUPAC2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
SMILESCCc1ccc(-n2c(C(CC)N(CC)C(=O)C(Cl)c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C29H30ClN3O2/c1-4-20-16-18-22(19-17-20)33-27(31-24-15-11-10-14-23(24)28(33)34)25(5-2)32(6-3)29(35)26(30)21-12-8-7-9-13-21/h7-19,25-26H,4-6H2,1-3H3
InChIKeyNDBKCIQAXSFUDB-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.23
Rot. Bonds8

About 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide

2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide (PubChem CID 42722682) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
PubChem CID42722682
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
SMILESCCc1ccc(-n2c(C(CC)N(CC)C(=O)C(Cl)c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C29H30ClN3O2/c1-4-20-16-18-22(19-17-20)33-27(31-24-15-11-10-14-23(24)28(33)34)25(5-2)32(6-3)29(35)26(30)21-12-8-7-9-13-21/h7-19,25-26H,4-6H2,1-3H3
InChIKeyNDBKCIQAXSFUDB-UHFFFAOYSA-N
XLogP6.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 3580721
N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42722686
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
2-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 3986184
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42722703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide (CID 42722682) is 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide is CCc1ccc(-n2c(C(CC)N(CC)C(=O)C(Cl)c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide?
The InChIKey is NDBKCIQAXSFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-4-20-16-18-22(19-17-20)33-27(31-24-15-11-10-14-23(24)28(33)34)25(5-2)32(6-3)29(35)26(30)21-12-8-7-9-13-21/h7-19,25-26H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide?
2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide has a molecular weight of 488.03 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 42722682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).