lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride

C19H18LiN3O4 — CID 173315528

IUPAClithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride
SMILESCOc1cc2ncnc(N3c4ccccc4CC3C(=O)O)c2cc1OC.[H-].[Li+]
InChIInChI=1S/C19H17N3O4.Li.H/c1-25-16-8-12-13(9-17(16)26-2)20-10-21-18(12)22-14-6-4-3-5-11(14)7-15(22)19(23)24;;/h3-6,8-10,15H,7H2,1-2H3,(H,23,24);;/q;+1;-1
InChIKeyPNSBBDJJVSYRLH-UHFFFAOYSA-N
MW359.31 g/mol
LogP-0.09
Rot. Bonds4

About lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride

lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride (PubChem CID 173315528) has the molecular formula C19H18LiN3O4 and a molecular weight of 359.31 g/mol. Its IUPAC name is lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride
PubChem CID173315528
Molecular FormulaC19H18LiN3O4
Molecular Weight359.31 g/mol
Exact Mass359.15
IUPAC Namelithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride
SMILESCOc1cc2ncnc(N3c4ccccc4CC3C(=O)O)c2cc1OC.[H-].[Li+]
InChIInChI=1S/C19H17N3O4.Li.H/c1-25-16-8-12-13(9-17(16)26-2)20-10-21-18(12)22-14-6-4-3-5-11(14)7-15(22)19(23)24;;/h3-6,8-10,15H,7H2,1-2H3,(H,23,24);;/q;+1;-1
InChIKeyPNSBBDJJVSYRLH-UHFFFAOYSA-N
XLogP-0.09
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride?
The IUPAC name of lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride (CID 173315528) is lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride.
What is the SMILES notation for lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride?
The canonical SMILES for lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride is COc1cc2ncnc(N3c4ccccc4CC3C(=O)O)c2cc1OC.[H-].[Li+].
What is the InChIKey of lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride?
The InChIKey is PNSBBDJJVSYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4.Li.H/c1-25-16-8-12-13(9-17(16)26-2)20-10-21-18(12)22-14-6-4-3-5-11(14)7-15(22)19(23)24;;/h3-6,8-10,15H,7H2,1-2H3,(H,23,24);;/q;+1;-1.
What are the key properties of lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride?
lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride has a molecular weight of 359.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindole-2-carboxylic acid;hydride is sourced from PubChem (CID 173315528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).