4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H22N2O3 — CID 24901550

IUPAC4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C19H22N2O3/c1-20(2)19(23)21-11-14-10-16(24-3)7-8-17(14)18(12-21)13-5-4-6-15(22)9-13/h4-10,18,22H,11-12H2,1-3H3
InChIKeyJTDVZPOLRBKDIL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.03
Rot. Bonds2

About 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901550) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901550
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1
InChIInChI=1S/C19H22N2O3/c1-20(2)19(23)21-11-14-10-16(24-3)7-8-17(14)18(12-21)13-5-4-6-15(22)9-13/h4-10,18,22H,11-12H2,1-3H3
InChIKeyJTDVZPOLRBKDIL-UHFFFAOYSA-N
XLogP3.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901550) is 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc2c(c1)CN(C(=O)N(C)C)CC2c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JTDVZPOLRBKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(2)19(23)21-11-14-10-16(24-3)7-8-17(14)18(12-21)13-5-4-6-15(22)9-13/h4-10,18,22H,11-12H2,1-3H3.
What are the key properties of 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).