N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

C24H32N4O4 — CID 22422059

IUPACN-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccnc1
InChIInChI=1S/C24H32N4O4/c1-6-28(7-2)12-11-26-23(29)21-17-13-19(31-4)20(32-5)14-18(17)24(30)27(3)22(21)16-9-8-10-25-15-16/h8-10,13-15,21-22H,6-7,11-12H2,1-5H3,(H,26,29)
InChIKeyFABZLUXFOOVVGX-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.47
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 22422059) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID22422059
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccnc1
InChIInChI=1S/C24H32N4O4/c1-6-28(7-2)12-11-26-23(29)21-17-13-19(31-4)20(32-5)14-18(17)24(30)27(3)22(21)16-9-8-10-25-15-16/h8-10,13-15,21-22H,6-7,11-12H2,1-5H3,(H,26,29)
InChIKeyFABZLUXFOOVVGX-UHFFFAOYSA-N
XLogP2.47
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 22422059) is N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is CCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccnc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is FABZLUXFOOVVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-6-28(7-2)12-11-26-23(29)21-17-13-19(31-4)20(32-5)14-18(17)24(30)27(3)22(21)16-9-8-10-25-15-16/h8-10,13-15,21-22H,6-7,11-12H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 22422059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).