8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H26N2O2 — CID 154746108

IUPAC8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CN(C(=O)NC1CCC3(CC1)CC3)CC2
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-14-7-12-21(13-16(14)17)18(22)20-15-5-8-19(9-6-15)10-11-19/h2-4,15H,5-13H2,1H3,(H,20,22)
InChIKeyWVVZDEBGKBVGJV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.49
Rot. Bonds2

About 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 154746108) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID154746108
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CN(C(=O)NC1CCC3(CC1)CC3)CC2
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-14-7-12-21(13-16(14)17)18(22)20-15-5-8-19(9-6-15)10-11-19/h2-4,15H,5-13H2,1H3,(H,20,22)
InChIKeyWVVZDEBGKBVGJV-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930
N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 110667981
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
N-[3-(4-cyano-1H-pyrrole-2-carbonyl)-3-azaspiro[5.5]undecan-9-yl]-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 171674548
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 132971702
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
4-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024527
2-(benzhydrylideneamino)oxy-1-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 87837397
[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 166285354
2-[ethyl-[3-[(8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026055

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 154746108) is 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc2c1CN(C(=O)NC1CCC3(CC1)CC3)CC2.
What is the InChIKey of 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WVVZDEBGKBVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-17-4-2-3-14-7-12-21(13-16(14)17)18(22)20-15-5-8-19(9-6-15)10-11-19/h2-4,15H,5-13H2,1H3,(H,20,22).
What are the key properties of 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 154746108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).