N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate

C47H41Cl2N7O5 — CID 158388310

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)cc2c1.COC(=O)c1ccc2ncccc2c1.Cc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C25H24ClN5O.C11H8ClNO2.C11H9NO2/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32);2-6H,1H3;2-7H,1H3
InChIKeyGWQBCXBHDTVGIM-UHFFFAOYSA-N
MW854.80 g/mol
LogP9.40
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate (PubChem CID 158388310) has the molecular formula C47H41Cl2N7O5 and a molecular weight of 854.80 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate
PubChem CID158388310
Molecular FormulaC47H41Cl2N7O5
Molecular Weight854.80 g/mol
Exact Mass853.25
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)cc2c1.COC(=O)c1ccc2ncccc2c1.Cc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/C25H24ClN5O.C11H8ClNO2.C11H9NO2/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32);2-6H,1H3;2-7H,1H3
InChIKeyGWQBCXBHDTVGIM-UHFFFAOYSA-N
XLogP9.40
TPSA172.17 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500854.80
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate with MolForge

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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
Methyl 4-[4-([6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]benzoate
CID 118916025
US10023557, Example 212
CID 124181946
US10308637, Example 209
CID 124181955
US10023557, Example 275
CID 124182386
US10023557, Example 277
CID 124182400
US10023557, Example 210
CID 124182880

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate (CID 158388310) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)cc2c1.COC(=O)c1ccc2ncccc2c1.Cc1cc(C(=O)NCc2c(C)cc(N)nc2C)cc(Cc2ccc3ncc(Cl)cc3c2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate?
The InChIKey is GWQBCXBHDTVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O.C11H8ClNO2.C11H9NO2/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23;1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10;1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32);2-6H,1H3;2-7H,1H3.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate has a molecular weight of 854.80 g/mol, XLogP of 9.40, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-methylpyridine-4-carboxamide;methyl 3-chloroquinoline-6-carboxylate;methyl quinoline-6-carboxylate is sourced from PubChem (CID 158388310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).