N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H21ClN2O3 — CID 86870043

IUPACN-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1OC)CC2
InChIInChI=1S/C19H21ClN2O3/c1-3-25-15-8-7-13-9-10-22(12-14(13)11-15)19(23)21-17-6-4-5-16(20)18(17)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQWAWMGUAEGGXKD-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 86870043) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID86870043
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1OC)CC2
InChIInChI=1S/C19H21ClN2O3/c1-3-25-15-8-7-13-9-10-22(12-14(13)11-15)19(23)21-17-6-4-5-16(20)18(17)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQWAWMGUAEGGXKD-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869854
7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869103
7-ethoxy-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869738
N-[3-(difluoromethoxy)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869916
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-6-[(3,5-dimethoxyphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 91565311
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
CID 167991950
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
7-ethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 86870043) is N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCOc1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1OC)CC2.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QWAWMGUAEGGXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-25-15-8-7-13-9-10-22(12-14(13)11-15)19(23)21-17-6-4-5-16(20)18(17)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 86870043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).