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

C17H18N2O — CID 82304474

IUPAC6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC1)CNC2c1ccncc1
InChIInChI=1S/C17H18N2O/c1-20-13-2-3-14-15(10-13)17(6-7-17)11-19-16(14)12-4-8-18-9-5-12/h2-5,8-10,16,19H,6-7,11H2,1H3
InChIKeyNEIPMUAXTLSKER-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.81
Rot. Bonds2

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

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 82304474) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID82304474
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCOc1ccc2c(c1)C1(CC1)CNC2c1ccncc1
InChIInChI=1S/C17H18N2O/c1-20-13-2-3-14-15(10-13)17(6-7-17)11-19-16(14)12-4-8-18-9-5-12/h2-5,8-10,16,19H,6-7,11H2,1H3
InChIKeyNEIPMUAXTLSKER-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
6-methoxy-1-[2-(2-methylphenyl)ethyl]spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513064
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
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine
CID 83854976
1-ethoxy-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 131660291
7-methoxy-5,5-dimethyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-b]pyridine;hydrochloride
CID 21436274

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 82304474) is 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is COc1ccc2c(c1)C1(CC1)CNC2c1ccncc1.
What is the InChIKey of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is NEIPMUAXTLSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-13-2-3-14-15(10-13)17(6-7-17)11-19-16(14)12-4-8-18-9-5-12/h2-5,8-10,16,19H,6-7,11H2,1H3.
What are the key properties of 6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 266.34 g/mol, XLogP of 2.81, 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'-cyclopropane] is sourced from PubChem (CID 82304474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).