3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide

C23H26Cl2N4O3 — CID 83282763

IUPAC3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCCc1nc(N(CCOC)CCC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C23H26Cl2N4O3/c1-4-20-27-22-18(13-15(24)14-19(22)25)23(28-20)29(11-12-31-2)10-9-21(30)26-16-5-7-17(32-3)8-6-16/h5-8,13-14H,4,9-12H2,1-3H3,(H,26,30)
InChIKeyXEUNOPYKNWNPEF-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.99
Rot. Bonds10

About 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide

3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 83282763) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID83282763
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC Name3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCCc1nc(N(CCOC)CCC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C23H26Cl2N4O3/c1-4-20-27-22-18(13-15(24)14-19(22)25)23(28-20)29(11-12-31-2)10-9-21(30)26-16-5-7-17(32-3)8-6-16/h5-8,13-14H,4,9-12H2,1-3H3,(H,26,30)
InChIKeyXEUNOPYKNWNPEF-UHFFFAOYSA-N
XLogP4.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide with MolForge

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Related Compounds

1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea
CID 83282827
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 83282756
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide (CID 83282763) is 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide is CCc1nc(N(CCOC)CCC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is XEUNOPYKNWNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c1-4-20-27-22-18(13-15(24)14-19(22)25)23(28-20)29(11-12-31-2)10-9-21(30)26-16-5-7-17(32-3)8-6-16/h5-8,13-14H,4,9-12H2,1-3H3,(H,26,30).
What are the key properties of 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide?
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 477.39 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 83282763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).