N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide

C20H17N5O — CID 138588338

IUPACN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])c1ccc(C(=O)Nc2ncc3ccc(-c4cncn4C)cc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-3-5-14(6-4-13)19(26)24-20-22-10-16-8-7-15(9-17(16)23-20)18-11-21-12-25(18)2/h3-12H,1-2H3,(H,22,23,24,26)/i1D3
InChIKeySMTVVPOMWQUFLL-FIBGUPNXSA-N
MW346.41 g/mol
LogP3.59
Rot. Bonds4

About N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide

N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide (PubChem CID 138588338) has the molecular formula C20H17N5O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide.

Molecular Properties

Compound NameN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
PubChem CID138588338
Molecular FormulaC20H17N5O
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC NameN-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])c1ccc(C(=O)Nc2ncc3ccc(-c4cncn4C)cc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-3-5-14(6-4-13)19(26)24-20-22-10-16-8-7-15(9-17(16)23-20)18-11-21-12-25(18)2/h3-12H,1-2H3,(H,22,23,24,26)/i1D3
InChIKeySMTVVPOMWQUFLL-FIBGUPNXSA-N
XLogP3.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
CID 160792119
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
CID 138589596
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
CID 158342850
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588787
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138590458

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide?
The IUPAC name of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide (CID 138588338) is N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide.
What is the SMILES notation for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide?
The canonical SMILES for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide is [2H]C([2H])([2H])c1ccc(C(=O)Nc2ncc3ccc(-c4cncn4C)cc3n2)cc1.
What is the InChIKey of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide?
The InChIKey is SMTVVPOMWQUFLL-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-3-5-14(6-4-13)19(26)24-20-22-10-16-8-7-15(9-17(16)23-20)18-11-21-12-25(18)2/h3-12H,1-2H3,(H,22,23,24,26)/i1D3.
What are the key properties of N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide?
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide is sourced from PubChem (CID 138588338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).