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

C34H37N7O4 — CID 59216397

IUPAC2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one
SMILESCN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)c3)c1CN)C2=O
InChIInChI=1S/C34H37N7O4/c1-38(2)25-8-9-27-22(17-25)11-12-41(33(27)43)30-6-4-5-26(28(30)19-35)24-18-29(34(44)39(3)21-24)37-31-10-7-23(20-36-31)32(42)40-13-15-45-16-14-40/h4-10,17-18,20-21H,11-16,19,35H2,1-3H3,(H,36,37)
InChIKeyOPDSGZZXKAWFQY-UHFFFAOYSA-N
MW607.72 g/mol
LogP3.39
Rot. Bonds7

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

2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one (PubChem CID 59216397) has the molecular formula C34H37N7O4 and a molecular weight of 607.72 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one
PubChem CID59216397
Molecular FormulaC34H37N7O4
Molecular Weight607.72 g/mol
Exact Mass607.29
IUPAC Name2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one
SMILESCN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)c3)c1CN)C2=O
InChIInChI=1S/C34H37N7O4/c1-38(2)25-8-9-27-22(17-25)11-12-41(33(27)43)30-6-4-5-26(28(30)19-35)24-18-29(34(44)39(3)21-24)37-31-10-7-23(20-36-31)32(42)40-13-15-45-16-14-40/h4-10,17-18,20-21H,11-16,19,35H2,1-3H3,(H,36,37)
InChIKeyOPDSGZZXKAWFQY-UHFFFAOYSA-N
XLogP3.39
TPSA126.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.72
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one (CID 59216397) is 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one is CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)n(C)c3)c1CN)C2=O.
What is the InChIKey of 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one?
The InChIKey is OPDSGZZXKAWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O4/c1-38(2)25-8-9-27-22(17-25)11-12-41(33(27)43)30-6-4-5-26(28(30)19-35)24-18-29(34(44)39(3)21-24)37-31-10-7-23(20-36-31)32(42)40-13-15-45-16-14-40/h4-10,17-18,20-21H,11-16,19,35H2,1-3H3,(H,36,37).
What are the key properties of 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one?
2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one has a molecular weight of 607.72 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-6-(dimethylamino)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 59216397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).