lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate

C73H70AlCl3LiN15O7 — CID 158188928

IUPAClithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
SMILESCOC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H22ClN5O3.2C24H22ClN5O2.Al.Li.4H/c1-14-17(3-4-22(27)31-14)12-30-24(32)16-5-6-28-20(11-16)8-15-7-18-10-19(26)13-29-23(18)21(9-15)25(33)34-2;2*1-14-17(2-3-22(26)30-14)11-29-24(32)16-4-5-27-21(10-16)8-15-6-18-9-20(25)12-28-23(18)19(7-15)13-31;;;;;;/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);2*2-7,9-10,12,31H,8,11,13H2,1H3,(H2,26,30)(H,29,32);;;;;;/q;;;;+1;;;;-1
InChIKeyBYJQHXCPOAVFSX-UHFFFAOYSA-N
MW1409.74 g/mol
LogP6.97
Rot. Bonds18

About lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate

lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate (PubChem CID 158188928) has the molecular formula C73H70AlCl3LiN15O7 and a molecular weight of 1409.74 g/mol. Its IUPAC name is lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate.

Molecular Properties

Compound Namelithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
PubChem CID158188928
Molecular FormulaC73H70AlCl3LiN15O7
Molecular Weight1409.74 g/mol
Exact Mass1407.46
IUPAC Namelithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
SMILESCOC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H22ClN5O3.2C24H22ClN5O2.Al.Li.4H/c1-14-17(3-4-22(27)31-14)12-30-24(32)16-5-6-28-20(11-16)8-15-7-18-10-19(26)13-29-23(18)21(9-15)25(33)34-2;2*1-14-17(2-3-22(26)30-14)11-29-24(32)16-4-5-27-21(10-16)8-15-6-18-9-20(25)12-28-23(18)19(7-15)13-31;;;;;;/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);2*2-7,9-10,12,31H,8,11,13H2,1H3,(H2,26,30)(H,29,32);;;;;;/q;;;;+1;;;;-1
InChIKeyBYJQHXCPOAVFSX-UHFFFAOYSA-N
XLogP6.97
TPSA348.13 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.74
LogP ≤ 56.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10023557, Example 93
CID 118665155
US10023557, Example 95
CID 118665172
US10023557, Example 94
CID 118665190
US10023557, Example 92
CID 118665210
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 84
CID 118665404
US10023557, Example 212
CID 124181946
US10023557, Example 224
CID 124182897
US10023557, Example 219
CID 126501514
US10023557, Example 220
CID 126501515
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane
CID 158440791

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate?
The IUPAC name of lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate (CID 158188928) is lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate.
What is the SMILES notation for lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate?
The canonical SMILES for lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate is COC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate?
The InChIKey is BYJQHXCPOAVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3.2C24H22ClN5O2.Al.Li.4H/c1-14-17(3-4-22(27)31-14)12-30-24(32)16-5-6-28-20(11-16)8-15-7-18-10-19(26)13-29-23(18)21(9-15)25(33)34-2;2*1-14-17(2-3-22(26)30-14)11-29-24(32)16-4-5-27-21(10-16)8-15-6-18-9-20(25)12-28-23(18)19(7-15)13-31;;;;;;/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);2*2-7,9-10,12,31H,8,11,13H2,1H3,(H2,26,30)(H,29,32);;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate?
lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate has a molecular weight of 1409.74 g/mol, XLogP of 6.97, 18 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide);hydride;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate is sourced from PubChem (CID 158188928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).