N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide

C19H16Cl2N2O2 — CID 37494055

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16Cl2N2O2/c1-11(14-8-7-13(20)10-16(14)21)23(2)19(25)17-9-12-5-3-4-6-15(12)18(24)22-17/h3-11H,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyGKEFUWFBFNBRPN-LLVKDONJSA-N
MW375.26 g/mol
LogP4.67
Rot. Bonds3

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 37494055) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID37494055
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16Cl2N2O2/c1-11(14-8-7-13(20)10-16(14)21)23(2)19(25)17-9-12-5-3-4-6-15(12)18(24)22-17/h3-11H,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyGKEFUWFBFNBRPN-LLVKDONJSA-N
XLogP4.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 38550234
N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47120487
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95045611
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24674767
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 46591635
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
N-(4-fluorophenyl)-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 71938315
N-cyclopropyl-N-(3-methylbutan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 47796162
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 46588611
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[(1S)-1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 169058910
methyl 2-[methyl-(1-oxo-2H-isoquinoline-3-carbonyl)amino]acetate
CID 43409762

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide (CID 37494055) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide is C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is GKEFUWFBFNBRPN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-11(14-8-7-13(20)10-16(14)21)23(2)19(25)17-9-12-5-3-4-6-15(12)18(24)22-17/h3-11H,1-2H3,(H,22,24)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 37494055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).