N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane

C78H74Cl3N15O9 — CID 159009261

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H22ClN5O3.C25H24ClN5O2.C24H20ClN5O3.C4H8O/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;1-14-5-23(27)31-15(2)22(14)12-30-25(33)17-3-4-28-21(10-17)8-16-6-18-9-20(26)11-29-24(18)19(7-16)13-32;1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)24(32)33;1-2-4-5-3-1/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);3-7,9-11,32H,8,12-13H2,1-2H3,(H2,27,31)(H,30,33);2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)(H,32,33);1-4H2
InChIKeyJSHOSTHRAFCSIN-UHFFFAOYSA-N
MW1471.90 g/mol
LogP12.35
Rot. Bonds18

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane (PubChem CID 159009261) has the molecular formula C78H74Cl3N15O9 and a molecular weight of 1471.90 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
PubChem CID159009261
Molecular FormulaC78H74Cl3N15O9
Molecular Weight1471.90 g/mol
Exact Mass1469.49
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C25H22ClN5O3.C25H24ClN5O2.C24H20ClN5O3.C4H8O/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;1-14-5-23(27)31-15(2)22(14)12-30-25(33)17-3-4-28-21(10-17)8-16-6-18-9-20(26)11-29-24(18)19(7-16)13-32;1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)24(32)33;1-2-4-5-3-1/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);3-7,9-11,32H,8,12-13H2,1-2H3,(H2,27,31)(H,30,33);2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)(H,32,33);1-4H2
InChIKeyJSHOSTHRAFCSIN-UHFFFAOYSA-N
XLogP12.35
TPSA374.43 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001471.90
LogP ≤ 512.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane with MolForge

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Launch Full Analysis

Related Compounds

lithium;alumane;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;hydride;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
CID 159033488
5-(aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;bis(methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 160730229
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-methylquinoline-8-carboxylic acid;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;methane;methyl 6-[(4-methoxycarbonyl-2-pyridinyl)methyl]-3-methylquinoline-8-carboxylate
CID 160671400
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 160902487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 159327407
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4-methylpyridin-2-amine;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 159457287
6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146326177
5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
CID 118669054
methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 3-chloro-6-[(4-methoxycarbonyl-2-pyridinyl)methyl]quinoline-8-carboxylate
CID 159488290
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
CID 159580689

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane (CID 159009261) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane is C1CCOC1.COC(=O)c1cc(Cc2cc(C(=O)NCc3ccc(N)nc3C)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(=O)O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane?
The InChIKey is JSHOSTHRAFCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3.C25H24ClN5O2.C24H20ClN5O3.C4H8O/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;1-14-5-23(27)31-15(2)22(14)12-30-25(33)17-3-4-28-21(10-17)8-16-6-18-9-20(26)11-29-24(18)19(7-16)13-32;1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(25)12-28-22(17)20(8-14)24(32)33;1-2-4-5-3-1/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32);3-7,9-11,32H,8,12-13H2,1-2H3,(H2,27,31)(H,30,33);2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)(H,32,33);1-4H2.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane has a molecular weight of 1471.90 g/mol, XLogP of 12.35, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane is sourced from PubChem (CID 159009261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).