N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide

C18H24N2O3 — CID 175651492

IUPACN,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)N(CC)CC)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C18H24N2O3/c1-5-10-20-16(18(22)19(6-2)7-3)12-13-11-14(23-4)8-9-15(13)17(20)21/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyPGQAEVWQLHDXMG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.90
Rot. Bonds6

About N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide

N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide (PubChem CID 175651492) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
PubChem CID175651492
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)N(CC)CC)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C18H24N2O3/c1-5-10-20-16(18(22)19(6-2)7-3)12-13-11-14(23-4)8-9-15(13)17(20)21/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyPGQAEVWQLHDXMG-UHFFFAOYSA-N
XLogP2.90
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
6-methoxy-1-oxo-2-propyl-N-(thiophen-2-ylmethyl)isoquinoline-3-carboxamide
CID 175651711
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 171997190
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283
N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 127040045
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide?
The IUPAC name of N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide (CID 175651492) is N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide is CCCn1c(C(=O)N(CC)CC)cc2cc(OC)ccc2c1=O.
What is the InChIKey of N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide?
The InChIKey is PGQAEVWQLHDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-10-20-16(18(22)19(6-2)7-3)12-13-11-14(23-4)8-9-15(13)17(20)21/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide?
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 175651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).