3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline

C17H18N2 — CID 163782236

IUPAC3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
SMILESCc1ccc2c(c1)C(c1ccccn1)=NC(C)(C)C2
InChIInChI=1S/C17H18N2/c1-12-7-8-13-11-17(2,3)19-16(14(13)10-12)15-6-4-5-9-18-15/h4-10H,11H2,1-3H3
InChIKeyMPNGHOKINRRVPP-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.56
Rot. Bonds1

About 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline

3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline (PubChem CID 163782236) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline.

Molecular Properties

Compound Name3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
PubChem CID163782236
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
SMILESCc1ccc2c(c1)C(c1ccccn1)=NC(C)(C)C2
InChIInChI=1S/C17H18N2/c1-12-7-8-13-11-17(2,3)19-16(14(13)10-12)15-6-4-5-9-18-15/h4-10H,11H2,1-3H3
InChIKeyMPNGHOKINRRVPP-UHFFFAOYSA-N
XLogP3.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
CID 52995067
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
3,7-dimethyl-1-pyridin-2-yl-10H-phenoxazine
CID 151544815

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline?
The IUPAC name of 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline (CID 163782236) is 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline.
What is the SMILES notation for 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline?
The canonical SMILES for 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline is Cc1ccc2c(c1)C(c1ccccn1)=NC(C)(C)C2.
What is the InChIKey of 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline?
The InChIKey is MPNGHOKINRRVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-7-8-13-11-17(2,3)19-16(14(13)10-12)15-6-4-5-9-18-15/h4-10H,11H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline?
3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline has a molecular weight of 250.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline is sourced from PubChem (CID 163782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).