N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide

C21H26N4O — CID 142691908

IUPACN-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide
SMILESCCN1C(N(C)C)=Nc2ccccc2C1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N4O/c1-5-24-20(25(16(2)26)15-17-11-7-6-8-12-17)18-13-9-10-14-19(18)22-21(24)23(3)4/h6-14,20H,5,15H2,1-4H3
InChIKeyIMADWBCIKVWDAM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.62
Rot. Bonds4

About N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide

N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide (PubChem CID 142691908) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide
PubChem CID142691908
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide
SMILESCCN1C(N(C)C)=Nc2ccccc2C1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N4O/c1-5-24-20(25(16(2)26)15-17-11-7-6-8-12-17)18-13-9-10-14-19(18)22-21(24)23(3)4/h6-14,20H,5,15H2,1-4H3
InChIKeyIMADWBCIKVWDAM-UHFFFAOYSA-N
XLogP3.62
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide
CID 163946681
N-[(4-nitrophenyl)methyl]-N-(3-phenyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
CID 23085189
4-amino-N-benzyl-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65357630
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
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CID 127578302
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
N-[(2S,3S)-1-acetyl-2-formylpyrrolidin-3-yl]-N-benzylacetamide
CID 11000713
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide (CID 142691908) is N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide is CCN1C(N(C)C)=Nc2ccccc2C1N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide?
The InChIKey is IMADWBCIKVWDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-5-24-20(25(16(2)26)15-17-11-7-6-8-12-17)18-13-9-10-14-19(18)22-21(24)23(3)4/h6-14,20H,5,15H2,1-4H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide?
N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide is sourced from PubChem (CID 142691908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).