5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C21H24ClN5O5 — CID 69462773

IUPAC5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCOCCOCCOc1cc2ncnc(C3C(=O)Nc4nc(C)ncc43)c2cc1OC.Cl
InChIInChI=1S/C21H23N5O5.ClH/c1-12-22-10-14-18(21(27)26-20(14)25-12)19-13-8-16(29-3)17(9-15(13)23-11-24-19)31-7-6-30-5-4-28-2;/h8-11,18H,4-7H2,1-3H3,(H,22,25,26,27);1H
InChIKeyZVIDSCPMRAPOFF-UHFFFAOYSA-N
MW461.91 g/mol
LogP2.28
Rot. Bonds9

About 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 69462773) has the molecular formula C21H24ClN5O5 and a molecular weight of 461.91 g/mol. Its IUPAC name is 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID69462773
Molecular FormulaC21H24ClN5O5
Molecular Weight461.91 g/mol
Exact Mass461.15
IUPAC Name5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCOCCOCCOc1cc2ncnc(C3C(=O)Nc4nc(C)ncc43)c2cc1OC.Cl
InChIInChI=1S/C21H23N5O5.ClH/c1-12-22-10-14-18(21(27)26-20(14)25-12)19-13-8-16(29-3)17(9-15(13)23-11-24-19)31-7-6-30-5-4-28-2;/h8-11,18H,4-7H2,1-3H3,(H,22,25,26,27);1H
InChIKeyZVIDSCPMRAPOFF-UHFFFAOYSA-N
XLogP2.28
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
CID 70245548
6-chloro-3-[7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;hydrochloride
CID 87844022
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
CID 69325622
acetic acid;3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 10239640
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
CID 143534314
2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 11704732
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline
CID 91514262
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
CID 141169592

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 69462773) is 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is COCCOCCOc1cc2ncnc(C3C(=O)Nc4nc(C)ncc43)c2cc1OC.Cl.
What is the InChIKey of 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is ZVIDSCPMRAPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5.ClH/c1-12-22-10-14-18(21(27)26-20(14)25-12)19-13-8-16(29-3)17(9-15(13)23-11-24-19)31-7-6-30-5-4-28-2;/h8-11,18H,4-7H2,1-3H3,(H,22,25,26,27);1H.
What are the key properties of 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 461.91 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 69462773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).