ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate

C26H32N4O4 — CID 42715489

IUPACethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H32N4O4/c1-5-34-24(32)16-15-23(31)29(18-17-28(3)4)19(2)25-27-22-14-10-9-13-21(22)26(33)30(25)20-11-7-6-8-12-20/h6-14,19H,5,15-18H2,1-4H3
InChIKeyOPMHHNBOSAIQFF-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.18
Rot. Bonds10

About ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate

ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate (PubChem CID 42715489) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
PubChem CID42715489
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nameethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H32N4O4/c1-5-34-24(32)16-15-23(31)29(18-17-28(3)4)19(2)25-27-22-14-10-9-13-21(22)26(33)30(25)20-11-7-6-8-12-20/h6-14,19H,5,15-18H2,1-4H3
InChIKeyOPMHHNBOSAIQFF-UHFFFAOYSA-N
XLogP3.18
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4007499
ethyl 4-[3-methylbutyl-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42721094
ethyl 4-[benzyl-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 5161627
ethyl 4-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42720528
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-hexylamino]-4-oxobutanoate
CID 42711715
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate (CID 42715489) is ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate?
The InChIKey is OPMHHNBOSAIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-5-34-24(32)16-15-23(31)29(18-17-28(3)4)19(2)25-27-22-14-10-9-13-21(22)26(33)30(25)20-11-7-6-8-12-20/h6-14,19H,5,15-18H2,1-4H3.
What are the key properties of ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate?
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate has a molecular weight of 464.57 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 42715489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).