6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid

C20H23N3O6S — CID 86752367

IUPAC6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
SMILESCOc1ccc2c(c1)CCN2c1ncnc2cc(OC)c(OC)cc12.CS(=O)(=O)O
InChIInChI=1S/C19H19N3O3.CH4O3S/c1-23-13-4-5-16-12(8-13)6-7-22(16)19-14-9-17(24-2)18(25-3)10-15(14)20-11-21-19;1-5(2,3)4/h4-5,8-11H,6-7H2,1-3H3;1H3,(H,2,3,4)
InChIKeyASJVDTMCTSFLJM-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.85
Rot. Bonds4

About 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid

6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid (PubChem CID 86752367) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid.

Molecular Properties

Compound Name6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
PubChem CID86752367
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
SMILESCOc1ccc2c(c1)CCN2c1ncnc2cc(OC)c(OC)cc12.CS(=O)(=O)O
InChIInChI=1S/C19H19N3O3.CH4O3S/c1-23-13-4-5-16-12(8-13)6-7-22(16)19-14-9-17(24-2)18(25-3)10-15(14)20-11-21-19;1-5(2,3)4/h4-5,8-11H,6-7H2,1-3H3;1H3,(H,2,3,4)
InChIKeyASJVDTMCTSFLJM-UHFFFAOYSA-N
XLogP2.85
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid?
The IUPAC name of 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid (CID 86752367) is 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid.
What is the SMILES notation for 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid?
The canonical SMILES for 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid is COc1ccc2c(c1)CCN2c1ncnc2cc(OC)c(OC)cc12.CS(=O)(=O)O.
What is the InChIKey of 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid?
The InChIKey is ASJVDTMCTSFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3.CH4O3S/c1-23-13-4-5-16-12(8-13)6-7-22(16)19-14-9-17(24-2)18(25-3)10-15(14)20-11-21-19;1-5(2,3)4/h4-5,8-11H,6-7H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid?
6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid has a molecular weight of 433.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid is sourced from PubChem (CID 86752367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).