N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide

C26H34N4O2 — CID 42714905

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H34N4O2/c1-19(2)17-24(31)29(16-15-28(4)5)20(3)25-27-23-14-10-9-13-22(23)26(32)30(25)18-21-11-7-6-8-12-21/h6-14,19-20H,15-18H2,1-5H3
InChIKeyQLRJHROFGFRIRX-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.94
Rot. Bonds9

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide (PubChem CID 42714905) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
PubChem CID42714905
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H34N4O2/c1-19(2)17-24(31)29(16-15-28(4)5)20(3)25-27-23-14-10-9-13-22(23)26(32)30(25)18-21-11-7-6-8-12-21/h6-14,19-20H,15-18H2,1-5H3
InChIKeyQLRJHROFGFRIRX-UHFFFAOYSA-N
XLogP3.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
CID 42717832
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
CID 42711179
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 42717668
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide (CID 42714905) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide is CC(C)CC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide?
The InChIKey is QLRJHROFGFRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19(2)17-24(31)29(16-15-28(4)5)20(3)25-27-23-14-10-9-13-22(23)26(32)30(25)18-21-11-7-6-8-12-21/h6-14,19-20H,15-18H2,1-5H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide has a molecular weight of 434.58 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 42714905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).