4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

C18H19ClN2O2 — CID 18687392

IUPAC4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccc2c1CCN(C)C2
InChIInChI=1S/C18H19ClN2O2/c1-21-9-8-14-12(11-21)4-3-5-16(14)20-18(22)15-7-6-13(19)10-17(15)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyUSSYTRCQZKPSRI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (PubChem CID 18687392) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
PubChem CID18687392
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cccc2c1CCN(C)C2
InChIInChI=1S/C18H19ClN2O2/c1-21-9-8-14-12(11-21)4-3-5-16(14)20-18(22)15-7-6-13(19)10-17(15)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyUSSYTRCQZKPSRI-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
N-[2-(2-methoxybenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145964196
2-methoxy-N-[2-(2-methoxybenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145964974
N-(2-benzoyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-methoxybenzamide
CID 145965187
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methoxybenzamide
CID 145974588
3-chloro-N-[2-(2-methoxybenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145975862
2-methoxy-N-[2-(3-methylbenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145976599
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795568
N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-methoxybenzamide
CID 1932592
5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
CID 875498
5-chloro-2-methoxy-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 2196445
4-amino-5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 9950092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (CID 18687392) is 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is COc1cc(Cl)ccc1C(=O)Nc1cccc2c1CCN(C)C2.
What is the InChIKey of 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The InChIKey is USSYTRCQZKPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21-9-8-14-12(11-21)4-3-5-16(14)20-18(22)15-7-6-13(19)10-17(15)23-2/h3-7,10H,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is sourced from PubChem (CID 18687392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).