2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide

C21H21N3O2 — CID 167917843

IUPAC2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide
SMILESCn1cc(C(=O)NCc2cccc3c2CCNC3)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-24-13-19(17-7-2-3-8-18(17)21(24)26)20(25)23-12-15-6-4-5-14-11-22-10-9-16(14)15/h2-8,13,22H,9-12H2,1H3,(H,23,25)
InChIKeyRCVLFZBGNAIOFW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide

2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 167917843) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide
PubChem CID167917843
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide
SMILESCn1cc(C(=O)NCc2cccc3c2CCNC3)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-24-13-19(17-7-2-3-8-18(17)21(24)26)20(25)23-12-15-6-4-5-14-11-22-10-9-16(14)15/h2-8,13,22H,9-12H2,1H3,(H,23,25)
InChIKeyRCVLFZBGNAIOFW-UHFFFAOYSA-N
XLogP2.11
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoquinoline-4-carboxamide
CID 167952472
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558566
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-5,6,7,8-tetrahydroquinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 167840997
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489176
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 97463912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide (CID 167917843) is 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide is Cn1cc(C(=O)NCc2cccc3c2CCNC3)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is RCVLFZBGNAIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-13-19(17-7-2-3-8-18(17)21(24)26)20(25)23-12-15-6-4-5-14-11-22-10-9-16(14)15/h2-8,13,22H,9-12H2,1H3,(H,23,25).
What are the key properties of 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide?
2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 167917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).