N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C25H33N3O3 — CID 3239678

IUPACN-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1
InChIInChI=1S/C25H33N3O3/c1-5-28(6-2)17-9-16-26-24(29)22-20-10-7-8-11-21(20)25(30)27(3)23(22)18-12-14-19(31-4)15-13-18/h7-8,10-15,22-23H,5-6,9,16-17H2,1-4H3,(H,26,29)
InChIKeyKXHYPMZPRLGFQF-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.45
Rot. Bonds9

About N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3239678) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3239678
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1
InChIInChI=1S/C25H33N3O3/c1-5-28(6-2)17-9-16-26-24(29)22-20-10-7-8-11-21(20)25(30)27(3)23(22)18-12-14-19(31-4)15-13-18/h7-8,10-15,22-23H,5-6,9,16-17H2,1-4H3,(H,26,29)
InChIKeyKXHYPMZPRLGFQF-UHFFFAOYSA-N
XLogP3.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
CID 1475552
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
4-isopropyl-N-(4-methoxybenzyl)benzamide
CID 897223
YM-758
CID 9894205
N-[2-(Diethylamino)ethyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 4617502
2-(4-Methoxy-benzyl)isoquinoline-1,3,4-trione
CID 11522185
N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-4-methoxy-benzamide
CID 3218086
N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
CID 162669420
(2,6-Dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 511306
Cambridge id 7035693
CID 1075488
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide
CID 2576233
N-(4-methoxybenzyl)-1-oxo-1H-isochromene-4-carboxamide
CID 4179797

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 3239678) is N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is KXHYPMZPRLGFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-5-28(6-2)17-9-16-26-24(29)22-20-10-7-8-11-21(20)25(30)27(3)23(22)18-12-14-19(31-4)15-13-18/h7-8,10-15,22-23H,5-6,9,16-17H2,1-4H3,(H,26,29).
What are the key properties of N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3239678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).