1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline

C20H18N2 — CID 3021935

IUPAC1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline
SMILESC1=C(c2cc3ccccc3c(-c3ccccc3)n2)CNCC1
InChIInChI=1S/C20H18N2/c1-2-7-15(8-3-1)20-18-11-5-4-9-16(18)13-19(22-20)17-10-6-12-21-14-17/h1-5,7-11,13,21H,6,12,14H2
InChIKeyBNVNRFIRMHZENS-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.28
Rot. Bonds2

About 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline

1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline (PubChem CID 3021935) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline.

Molecular Properties

Compound Name1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline
PubChem CID3021935
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline
SMILESC1=C(c2cc3ccccc3c(-c3ccccc3)n2)CNCC1
InChIInChI=1S/C20H18N2/c1-2-7-15(8-3-1)20-18-11-5-4-9-16(18)13-19(22-20)17-10-6-12-21-14-17/h1-5,7-11,13,21H,6,12,14H2
InChIKeyBNVNRFIRMHZENS-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 66612778
3-bromo-1-phenylisoquinoline
CID 126560362
1-(2-methylphenyl)-3-piperidin-4-ylisoquinoline
CID 13319923
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
13-(1-phenylisoquinolin-3-yl)-[1]benzothiolo[3,2-c]phenanthridine
CID 154595799
3-(2,2-difluoroethyl)-1-phenylisoquinoline
CID 58852769
1-(3,5-diphenylphenyl)-3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-naphthalen-1-ylphenyl)isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-phenylphenyl)isoquinoline
CID 157287615
1-methyl-3-phenylisoquinoline
CID 10376139
2-phenyl-5,6,7,8-tetrahydro-1,7-naphthyridin-3-amine
CID 118393144
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
3-phenyl-1-[(3-phenylisoquinolin-1-yl)methyl]isoquinoline
CID 170983853

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline?
The IUPAC name of 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline (CID 3021935) is 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline.
What is the SMILES notation for 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline?
The canonical SMILES for 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline is C1=C(c2cc3ccccc3c(-c3ccccc3)n2)CNCC1.
What is the InChIKey of 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline?
The InChIKey is BNVNRFIRMHZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-2-7-15(8-3-1)20-18-11-5-4-9-16(18)13-19(22-20)17-10-6-12-21-14-17/h1-5,7-11,13,21H,6,12,14H2.
What are the key properties of 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline?
1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline has a molecular weight of 286.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-yl)isoquinoline is sourced from PubChem (CID 3021935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).