N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

C24H35N3O4 — CID 3235863

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C24H35N3O4/c1-6-27-15-20(18-11-21(30-4)22(31-5)12-19(18)24(27)29)23(28)25-8-7-9-26-13-16(2)10-17(3)14-26/h11-12,15-17H,6-10,13-14H2,1-5H3,(H,25,28)
InChIKeyDJOGHQKNEJJZFL-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.14
Rot. Bonds8

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (PubChem CID 3235863) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
PubChem CID3235863
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C24H35N3O4/c1-6-27-15-20(18-11-21(30-4)22(31-5)12-19(18)24(27)29)23(28)25-8-7-9-26-13-16(2)10-17(3)14-26/h11-12,15-17H,6-10,13-14H2,1-5H3,(H,25,28)
InChIKeyDJOGHQKNEJJZFL-UHFFFAOYSA-N
XLogP3.14
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide with MolForge

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Related Compounds

N-Methylcorydaldine
CID 303906
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330
N-[2-(dimethylamino)ethyl]-2-isobutyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 5322764
Benzamide, 3,4-dimethoxy-N-dodecyl-
CID 4193156
8-Oxopseudopalmatine
CID 392605
YM-758
CID 9894205
6,7-Dimethoxy-1,2-dihydroisoquinolin-1-one
CID 3312489
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]acetamide
CID 23644770
4-[(4-cyclohexylpiperazin-1-yl)carbonyl]-2-isobutyl-6,7-dimethoxyisoquinolin-1(2H)-one
CID 3242443
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-2-(tritritiomethoxy)benzamide
CID 54585420
3,4-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744761
3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2097235

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (CID 3235863) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The InChIKey is DJOGHQKNEJJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-6-27-15-20(18-11-21(30-4)22(31-5)12-19(18)24(27)29)23(28)25-8-7-9-26-13-16(2)10-17(3)14-26/h11-12,15-17H,6-10,13-14H2,1-5H3,(H,25,28).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 3235863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).