6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C14H20N2O2 — CID 110314273

IUPAC6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(C(=O)N(C)C)C2C
InChIInChI=1S/C14H20N2O2/c1-10-13-6-5-12(18-4)9-11(13)7-8-16(10)14(17)15(2)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBWHABDPCKLAVDA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds1

About 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110314273) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110314273
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(C(=O)N(C)C)C2C
InChIInChI=1S/C14H20N2O2/c1-10-13-6-5-12(18-4)9-11(13)7-8-16(10)14(17)15(2)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBWHABDPCKLAVDA-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
(3,4-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314239
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
CID 110314226
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-phenylpentane-1,5-dione
CID 110354349
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801662
1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110633715
N-[(3-chlorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110312286
5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-phenylpyrrolidin-2-one
CID 110633714

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110314273) is 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc2c(c1)CCN(C(=O)N(C)C)C2C.
What is the InChIKey of 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is BWHABDPCKLAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-13-6-5-12(18-4)9-11(13)7-8-16(10)14(17)15(2)3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110314273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).