N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C22H33N3O4 — CID 22422524

IUPACN-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCCN(CCC)CCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C22H33N3O4/c1-6-10-25(11-7-2)12-8-9-23-21(26)18-15-24(3)22(27)17-14-20(29-5)19(28-4)13-16(17)18/h13-15H,6-12H2,1-5H3,(H,23,26)
InChIKeyPRWNGVXMYSTQNH-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.80
Rot. Bonds11

About N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22422524) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22422524
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCCN(CCC)CCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12
InChIInChI=1S/C22H33N3O4/c1-6-10-25(11-7-2)12-8-9-23-21(26)18-15-24(3)22(27)17-14-20(29-5)19(28-4)13-16(17)18/h13-15H,6-12H2,1-5H3,(H,23,26)
InChIKeyPRWNGVXMYSTQNH-UHFFFAOYSA-N
XLogP2.80
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 15996107
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
CID 71565543
N-butyl-2-(cyclopropylmethyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566389
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 46977351
N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334275
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422502
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3244223
N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 22334277
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
N-(cyclopropylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566629

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 22422524) is N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is CCCN(CCC)CCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12.
What is the InChIKey of N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is PRWNGVXMYSTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-6-10-25(11-7-2)12-8-9-23-21(26)18-15-24(3)22(27)17-14-20(29-5)19(28-4)13-16(17)18/h13-15H,6-12H2,1-5H3,(H,23,26).
What are the key properties of N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22422524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).