6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one

C36H41N7O4 — CID 44548652

IUPAC6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one
SMILESCN(C)Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CCc2cc(N(C)C)ccc2C1=O
InChIInChI=1S/C36H41N7O4/c1-39(2)23-30-28(7-6-8-32(30)43-14-13-24-19-27(40(3)4)10-11-29(24)35(43)45)26-20-31(36(46)41(5)22-26)38-33-12-9-25(21-37-33)34(44)42-15-17-47-18-16-42/h6-12,19-22H,13-18,23H2,1-5H3,(H,37,38)
InChIKeyGYZLYYFRDSPCDE-UHFFFAOYSA-N
MW635.77 g/mol
LogP3.99
Rot. Bonds8

About 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one

6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 44548652) has the molecular formula C36H41N7O4 and a molecular weight of 635.77 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one
PubChem CID44548652
Molecular FormulaC36H41N7O4
Molecular Weight635.77 g/mol
Exact Mass635.32
IUPAC Name6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one
SMILESCN(C)Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CCc2cc(N(C)C)ccc2C1=O
InChIInChI=1S/C36H41N7O4/c1-39(2)23-30-28(7-6-8-32(30)43-14-13-24-19-27(40(3)4)10-11-29(24)35(43)45)26-20-31(36(46)41(5)22-26)38-33-12-9-25(21-37-33)34(44)42-15-17-47-18-16-42/h6-12,19-22H,13-18,23H2,1-5H3,(H,37,38)
InChIKeyGYZLYYFRDSPCDE-UHFFFAOYSA-N
XLogP3.99
TPSA103.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one (CID 44548652) is 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one is CN(C)Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CCc2cc(N(C)C)ccc2C1=O.
What is the InChIKey of 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is GYZLYYFRDSPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O4/c1-39(2)23-30-28(7-6-8-32(30)43-14-13-24-19-27(40(3)4)10-11-29(24)35(43)45)26-20-31(36(46)41(5)22-26)38-33-12-9-25(21-37-33)34(44)42-15-17-47-18-16-42/h6-12,19-22H,13-18,23H2,1-5H3,(H,37,38).
What are the key properties of 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one?
6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 635.77 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[2-[(dimethylamino)methyl]-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 44548652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).