N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

C22H23ClN2O4 — CID 22334282

IUPACN-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O4/c1-5-24-13-18(22(27)25(6-2)15-9-7-8-14(23)10-15)16-11-19(28-3)20(29-4)12-17(16)21(24)26/h7-13H,5-6H2,1-4H3
InChIKeyGSYRLCBLZBRRBC-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.36
Rot. Bonds6

About N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (PubChem CID 22334282) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
PubChem CID22334282
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC NameN-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O4/c1-5-24-13-18(22(27)25(6-2)15-9-7-8-14(23)10-15)16-11-19(28-3)20(29-4)12-17(16)21(24)26/h7-13H,5-6H2,1-4H3
InChIKeyGSYRLCBLZBRRBC-UHFFFAOYSA-N
XLogP4.36
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334293
N-[2-(dimethylamino)ethyl]-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 71566155
N-(2-ethoxyphenyl)-2-ethyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422723
N-ethyl-N-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22334275
6,7-dimethoxy-N-methyl-N-(3-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 5322520
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
CID 71565543
N-(3-acetamidophenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 3237553
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 15996575
N-(cyclopropylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566629
2-[(2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl)amino]benzoic acid
CID 129111234
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide (CID 22334282) is N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
The InChIKey is GSYRLCBLZBRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-5-24-13-18(22(27)25(6-2)15-9-7-8-14(23)10-15)16-11-19(28-3)20(29-4)12-17(16)21(24)26/h7-13H,5-6H2,1-4H3.
What are the key properties of N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide?
N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22334282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).