lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C54H70AlLiN8O7 — CID 157433879

About lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid

lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 157433879) has the molecular formula C54H70AlLiN8O7 and a molecular weight of 977.13 g/mol. Its IUPAC name is lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
• PubChem CID: 157433879
• Molecular Formula: C54H70AlLiN8O7
• Molecular Weight: 977.13 g/mol
• Exact Mass: 976.53
• IUPAC Name: lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
• SMILES: CN1c2ccccc2CCC1C(N)=O.CN1c2ccccc2CCC1CN.COC(=O)C1CCc2ccccc2N1C.N.O=C(O)C1CCc2ccccc2N1.O=C(O)c1ccc2ccccc2n1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C12H15NO2.C11H14N2O.C11H16N2.C10H11NO2.C10H7NO2.Al.Li.H3N.4H/c1-13-10-6-4-3-5-9(10)7-8-11(13)12(14)15-2;1-13-9-5-3-2-4-8(9)6-7-10(13)11(12)14;1-13-10(8-12)7-6-9-4-2-3-5-11(9)13;2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;;;;;;;/h3-6,11H,7-8H2,1-2H3;2-5,10H,6-7H2,1H3,(H2,12,14);2-5,10H,6-8,12H2,1H3;1-4,9,11H,5-6H2,(H,12,13);1-6H,(H,12,13);;;1H3;;;;/q;;;;;;+1;;;;;-1
• InChIKey: MKFKDAKHGKCHGH-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 239.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.13
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid?

The IUPAC name of lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 157433879) is lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

What is the SMILES notation for lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid?

The canonical SMILES for lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid is CN1c2ccccc2CCC1C(N)=O.CN1c2ccccc2CCC1CN.COC(=O)C1CCc2ccccc2N1C.N.O=C(O)C1CCc2ccccc2N1.O=C(O)c1ccc2ccccc2n1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid?

The InChIKey is MKFKDAKHGKCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C11H14N2O.C11H16N2.C10H11NO2.C10H7NO2.Al.Li.H3N.4H/c1-13-10-6-4-3-5-9(10)7-8-11(13)12(14)15-2;1-13-9-5-3-2-4-8(9)6-7-10(13)11(12)14;1-13-10(8-12)7-6-9-4-2-3-5-11(9)13;2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;;;;;;;/h3-6,11H,7-8H2,1-2H3;2-5,10H,6-7H2,1H3,(H2,12,14);2-5,10H,6-8,12H2,1H3;1-4,9,11H,5-6H2,(H,12,13);1-6H,(H,12,13);;;1H3;;;;/q;;;;;;+1;;;;;-1.

What are the key properties of lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid?

lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 977.13 g/mol, XLogP of 3.46, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;azane;hydride;1-methyl-3,4-dihydro-2H-quinoline-2-carboxamide;(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methanamine;methyl 1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate;quinoline-2-carboxylic acid;1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 157433879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).