5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C21H20ClN7O3 — CID 70245548

IUPAC5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCOc1cc2c(C3C(=O)Nc4nc(C)ncc43)ncnc2cc1OCCn1ccnc1.Cl
InChIInChI=1S/C21H19N7O3.ClH/c1-12-23-9-14-18(21(29)27-20(14)26-12)19-13-7-16(30-2)17(8-15(13)24-10-25-19)31-6-5-28-4-3-22-11-28;/h3-4,7-11,18H,5-6H2,1-2H3,(H,23,26,27,29);1H
InChIKeySBIVLVAXCWCUOQ-UHFFFAOYSA-N
MW453.89 g/mol
LogP2.52
Rot. Bonds6

About 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 70245548) has the molecular formula C21H20ClN7O3 and a molecular weight of 453.89 g/mol. Its IUPAC name is 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID70245548
Molecular FormulaC21H20ClN7O3
Molecular Weight453.89 g/mol
Exact Mass453.13
IUPAC Name5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCOc1cc2c(C3C(=O)Nc4nc(C)ncc43)ncnc2cc1OCCn1ccnc1.Cl
InChIInChI=1S/C21H19N7O3.ClH/c1-12-23-9-14-18(21(29)27-20(14)26-12)19-13-7-16(30-2)17(8-15(13)24-10-25-19)31-6-5-28-4-3-22-11-28;/h3-4,7-11,18H,5-6H2,1-2H3,(H,23,26,27,29);1H
InChIKeySBIVLVAXCWCUOQ-UHFFFAOYSA-N
XLogP2.52
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride with MolForge

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Related Compounds

Indoline derivative 10
CID 86281829
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
N-(1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330176
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
Ethanone, 1-[5-[(6,7-dimethoxy-4-quinazolinyl)amino]-4-fluoro-2,3-dihydro-1H-indol-1-yl]-2-(2-methyl-1H-indol-3-yl)-
CID 86281830
Indole deriv. 15
CID 5330184
N-[2-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-5-yl]benzamide
CID 23646073
4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646076

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 70245548) is 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is COc1cc2c(C3C(=O)Nc4nc(C)ncc43)ncnc2cc1OCCn1ccnc1.Cl.
What is the InChIKey of 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is SBIVLVAXCWCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3.ClH/c1-12-23-9-14-18(21(29)27-20(14)26-12)19-13-7-16(30-2)17(8-15(13)24-10-25-19)31-6-5-28-4-3-22-11-28;/h3-4,7-11,18H,5-6H2,1-2H3,(H,23,26,27,29);1H.
What are the key properties of 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 453.89 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 70245548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).