N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide

C57H54N6O6 — CID 166530374

IUPACN,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(Cn2c(=O)ccc3ccccc32)cc1.CN(C)C(=O)c1ccc(Cn2cc3ccccc3cc2=O)cc1.CN(C)C(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/3C19H18N2O2/c1-20(2)19(23)15-9-7-14(8-10-15)12-21-13-17-6-4-3-5-16(17)11-18(21)22;1-20(2)19(23)15-9-7-14(8-10-15)13-21-12-11-18(22)16-5-3-4-6-17(16)21;1-20(2)19(23)16-9-7-14(8-10-16)13-21-17-6-4-3-5-15(17)11-12-18(21)22/h3-11,13H,12H2,1-2H3;2*3-12H,13H2,1-2H3
InChIKeyNIEBETXXASXTMS-UHFFFAOYSA-N
MW919.10 g/mol
LogP8.25
Rot. Bonds9

About N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide

N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide (PubChem CID 166530374) has the molecular formula C57H54N6O6 and a molecular weight of 919.10 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide
PubChem CID166530374
Molecular FormulaC57H54N6O6
Molecular Weight919.10 g/mol
Exact Mass918.41
IUPAC NameN,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(Cn2c(=O)ccc3ccccc32)cc1.CN(C)C(=O)c1ccc(Cn2cc3ccccc3cc2=O)cc1.CN(C)C(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/3C19H18N2O2/c1-20(2)19(23)15-9-7-14(8-10-15)12-21-13-17-6-4-3-5-16(17)11-18(21)22;1-20(2)19(23)15-9-7-14(8-10-15)13-21-12-11-18(22)16-5-3-4-6-17(16)21;1-20(2)19(23)16-9-7-14(8-10-16)13-21-17-6-4-3-5-15(17)11-12-18(21)22/h3-11,13H,12H2,1-2H3;2*3-12H,13H2,1-2H3
InChIKeyNIEBETXXASXTMS-UHFFFAOYSA-N
XLogP8.25
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.10
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide with MolForge

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Related Compounds

N-[[1-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-oxoquinolin-4-yl]methyl]-N-methyl-4-[[5-[[methyl-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoyl]amino]methyl]-3-oxoisoquinolin-2-yl]methyl]benzamide
CID 166530345
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
2-benzyl-6-methylisoquinolin-3-one
CID 134912822
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211
N,N-dimethyl-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 166328665
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
N,N-dimethyl-4-[[[N'-methyl-N-(naphthalen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111874361
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
CID 62465636

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide (CID 166530374) is N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide is CN(C)C(=O)c1ccc(Cn2c(=O)ccc3ccccc32)cc1.CN(C)C(=O)c1ccc(Cn2cc3ccccc3cc2=O)cc1.CN(C)C(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide?
The InChIKey is NIEBETXXASXTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H18N2O2/c1-20(2)19(23)15-9-7-14(8-10-15)12-21-13-17-6-4-3-5-16(17)11-18(21)22;1-20(2)19(23)15-9-7-14(8-10-15)13-21-12-11-18(22)16-5-3-4-6-17(16)21;1-20(2)19(23)16-9-7-14(8-10-16)13-21-17-6-4-3-5-15(17)11-12-18(21)22/h3-11,13H,12H2,1-2H3;2*3-12H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide?
N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide has a molecular weight of 919.10 g/mol, XLogP of 8.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-oxoisoquinolin-2-yl)methyl]benzamide;N,N-dimethyl-4-[(2-oxoquinolin-1-yl)methyl]benzamide;N,N-dimethyl-4-[(4-oxoquinolin-1-yl)methyl]benzamide is sourced from PubChem (CID 166530374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).