2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

C23H25N5O4 — CID 71827803

IUPAC2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC
InChIInChI=1S/C23H25N5O4/c1-14-25-17-7-5-6-8-19(17)27(14)10-9-24-22(29)13-28-15(2)26-18-12-21(32-4)20(31-3)11-16(18)23(28)30/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyXLBOKCZDVZOXES-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.20
Rot. Bonds7

About 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 71827803) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID71827803
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC
InChIInChI=1S/C23H25N5O4/c1-14-25-17-7-5-6-8-19(17)27(14)10-9-24-22(29)13-28-15(2)26-18-12-21(32-4)20(31-3)11-16(18)23(28)30/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,29)
InChIKeyXLBOKCZDVZOXES-UHFFFAOYSA-N
XLogP2.20
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 71692285
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 71827105
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 110206981
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 71827803) is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is COc1cc2nc(C)n(CC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is XLBOKCZDVZOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14-25-17-7-5-6-8-19(17)27(14)10-9-24-22(29)13-28-15(2)26-18-12-21(32-4)20(31-3)11-16(18)23(28)30/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,29).
What are the key properties of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71827803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).