2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide

C23H31N5O — CID 163946681

IUPAC2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide
SMILESCCNc1ccc(CNC(=O)CC2c3ccccc3N=C(N(C)C)N2CC)cc1
InChIInChI=1S/C23H31N5O/c1-5-24-18-13-11-17(12-14-18)16-25-22(29)15-21-19-9-7-8-10-20(19)26-23(27(3)4)28(21)6-2/h7-14,21,24H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeyRVSDUXVYKQUKSB-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.75
Rot. Bonds7

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

2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide (PubChem CID 163946681) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide
PubChem CID163946681
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide
SMILESCCNc1ccc(CNC(=O)CC2c3ccccc3N=C(N(C)C)N2CC)cc1
InChIInChI=1S/C23H31N5O/c1-5-24-18-13-11-17(12-14-18)16-25-22(29)15-21-19-9-7-8-10-20(19)26-23(27(3)4)28(21)6-2/h7-14,21,24H,5-6,15-16H2,1-4H3,(H,25,29)
InChIKeyRVSDUXVYKQUKSB-UHFFFAOYSA-N
XLogP3.75
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(ethylamino)phenyl]methyl]propanamide
CID 59197954
N-benzyl-N-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]acetamide
CID 142691908
N-benzyl-2-[2-[5-(dimethylamino)pentyl-methylamino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetamide;molecular hydrogen
CID 142385610
2-[2-(4-acetylpiperazin-1-yl)-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 73058345
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
CID 90669930
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
CID 110442241
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(6-fluoronaphthalen-2-yl)-4H-quinazolin-4-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 73055986
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide (CID 163946681) is 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide is CCNc1ccc(CNC(=O)CC2c3ccccc3N=C(N(C)C)N2CC)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide?
The InChIKey is RVSDUXVYKQUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-5-24-18-13-11-17(12-14-18)16-25-22(29)15-21-19-9-7-8-10-20(19)26-23(27(3)4)28(21)6-2/h7-14,21,24H,5-6,15-16H2,1-4H3,(H,25,29).
What are the key properties of 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide?
2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide has a molecular weight of 393.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-(ethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 163946681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).