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

C34H36N6O4 — CID 68736538

IUPAC6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(N2CCc3cc(N(C)C)ccc3C2=O)c1C
InChIInChI=1S/C34H36N6O4/c1-21-26(6-5-7-30(21)40-13-12-23-18-25(38(3)4)9-10-27(23)34(40)43)28-19-29(32(41)36-22(28)2)37-31-11-8-24(20-35-31)33(42)39-14-16-44-17-15-39/h5-11,18-20H,12-17H2,1-4H3,(H,35,37)(H,36,41)
InChIKeySYHTYVWCWKSLMP-UHFFFAOYSA-N
MW592.70 g/mol
LogP4.54
Rot. Bonds6

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

6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 68736538) has the molecular formula C34H36N6O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one
PubChem CID68736538
Molecular FormulaC34H36N6O4
Molecular Weight592.70 g/mol
Exact Mass592.28
IUPAC Name6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(N2CCc3cc(N(C)C)ccc3C2=O)c1C
InChIInChI=1S/C34H36N6O4/c1-21-26(6-5-7-30(21)40-13-12-23-18-25(38(3)4)9-10-27(23)34(40)43)28-19-29(32(41)36-22(28)2)37-31-11-8-24(20-35-31)33(42)39-14-16-44-17-15-39/h5-11,18-20H,12-17H2,1-4H3,(H,35,37)(H,36,41)
InChIKeySYHTYVWCWKSLMP-UHFFFAOYSA-N
XLogP4.54
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.70
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]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-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one (CID 68736538) is 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one is Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(N2CCc3cc(N(C)C)ccc3C2=O)c1C.
What is the InChIKey of 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is SYHTYVWCWKSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O4/c1-21-26(6-5-7-30(21)40-13-12-23-18-25(38(3)4)9-10-27(23)34(40)43)28-19-29(32(41)36-22(28)2)37-31-11-8-24(20-35-31)33(42)39-14-16-44-17-15-39/h5-11,18-20H,12-17H2,1-4H3,(H,35,37)(H,36,41).
What are the key properties of 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one?
6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 592.70 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[2-methyl-3-[2-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 68736538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).