6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]

C19H22N2O — CID 112513028

IUPAC6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
SMILESCOc1ccc2c(c1)C1(CCCC1)CNC2c1ccncc1
InChIInChI=1S/C19H22N2O/c1-22-15-4-5-16-17(12-15)19(8-2-3-9-19)13-21-18(16)14-6-10-20-11-7-14/h4-7,10-12,18,21H,2-3,8-9,13H2,1H3
InChIKeyHZORMXRJBDHPLE-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.59
Rot. Bonds2

About 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] (PubChem CID 112513028) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane].

Molecular Properties

Compound Name6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
PubChem CID112513028
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
SMILESCOc1ccc2c(c1)C1(CCCC1)CNC2c1ccncc1
InChIInChI=1S/C19H22N2O/c1-22-15-4-5-16-17(12-15)19(8-2-3-9-19)13-21-18(16)14-6-10-20-11-7-14/h4-7,10-12,18,21H,2-3,8-9,13H2,1H3
InChIKeyHZORMXRJBDHPLE-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] with MolForge

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Related Compounds

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
(1S)-6,7-dimethoxy-1-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 749901
6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513064
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
CID 21436274
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
CID 154098192
6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 120905588

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The IUPAC name of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] (CID 112513028) is 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane].
What is the SMILES notation for 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The canonical SMILES for 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] is COc1ccc2c(c1)C1(CCCC1)CNC2c1ccncc1.
What is the InChIKey of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
The InChIKey is HZORMXRJBDHPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-22-15-4-5-16-17(12-15)19(8-2-3-9-19)13-21-18(16)14-6-10-20-11-7-14/h4-7,10-12,18,21H,2-3,8-9,13H2,1H3.
What are the key properties of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]?
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] has a molecular weight of 294.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane] is sourced from PubChem (CID 112513028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).