N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

C24H24N4O2 — CID 3241982

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C24H24N4O2/c1-27-21(14-19-22(27)18-8-4-5-9-20(18)26-23(19)29)24(30)25-11-13-28-12-10-16-6-2-3-7-17(16)15-28/h2-9,14H,10-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyXAOZEOPPEUJQEV-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 3241982) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID3241982
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C24H24N4O2/c1-27-21(14-19-22(27)18-8-4-5-9-20(18)26-23(19)29)24(30)25-11-13-28-12-10-16-6-2-3-7-17(16)15-28/h2-9,14H,10-13,15H2,1H3,(H,25,30)(H,26,29)
InChIKeyXAOZEOPPEUJQEV-UHFFFAOYSA-N
XLogP2.81
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 3241982) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is XAOZEOPPEUJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27-21(14-19-22(27)18-8-4-5-9-20(18)26-23(19)29)24(30)25-11-13-28-12-10-16-6-2-3-7-17(16)15-28/h2-9,14H,10-13,15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 3241982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).