N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide

C27H36N4O2 — CID 42722923

IUPACN-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCN(C)C)C(=O)C(C)C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H36N4O2/c1-7-20-13-15-21(16-14-20)31-25(28-23-12-10-9-11-22(23)27(31)33)24(8-2)30(18-17-29(5)6)26(32)19(3)4/h9-16,19,24H,7-8,17-18H2,1-6H3
InChIKeyZOADWCPUDPSTAK-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.45
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide (PubChem CID 42722923) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
PubChem CID42722923
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
SMILESCCc1ccc(-n2c(C(CC)N(CCN(C)C)C(=O)C(C)C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H36N4O2/c1-7-20-13-15-21(16-14-20)31-25(28-23-12-10-9-11-22(23)27(31)33)24(8-2)30(18-17-29(5)6)26(32)19(3)4/h9-16,19,24H,7-8,17-18H2,1-6H3
InChIKeyZOADWCPUDPSTAK-UHFFFAOYSA-N
XLogP4.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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]cyclobutanecarboxamide
CID 42722929
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
3-tert-butyl-1-[2-(dimethylamino)ethyl]-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721934
2-chloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylacetamide
CID 42722682
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 42719304
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyldecanamide
CID 42722894
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclobutanecarboxamide
CID 5026552
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42722880

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide (CID 42722923) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide is CCc1ccc(-n2c(C(CC)N(CCN(C)C)C(=O)C(C)C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
The InChIKey is ZOADWCPUDPSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-7-20-13-15-21(16-14-20)31-25(28-23-12-10-9-11-22(23)27(31)33)24(8-2)30(18-17-29(5)6)26(32)19(3)4/h9-16,19,24H,7-8,17-18H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide?
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide has a molecular weight of 448.61 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 42722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).