1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline

C17H17ClN2 — CID 140994493

IUPAC1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline
SMILESCC=CN1CCc2ccccc2C1c1cc(Cl)ccn1
InChIInChI=1S/C17H17ClN2/c1-2-10-20-11-8-13-5-3-4-6-15(13)17(20)16-12-14(18)7-9-19-16/h2-7,9-10,12,17H,8,11H2,1H3
InChIKeyMPGPSKUOHKLEBH-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline

1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline (PubChem CID 140994493) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline
PubChem CID140994493
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline
SMILESCC=CN1CCc2ccccc2C1c1cc(Cl)ccn1
InChIInChI=1S/C17H17ClN2/c1-2-10-20-11-8-13-5-3-4-6-15(13)17(20)16-12-14(18)7-9-19-16/h2-7,9-10,12,17H,8,11H2,1H3
InChIKeyMPGPSKUOHKLEBH-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[(1S)-1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one
CID 92757887
3-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal
CID 54113380
2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
CID 28645
1-[2-(carboxymethoxy)-5-chlorophenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 66654330
3-(1-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-1-one
CID 54225296
2-[4-chloro-2-[2-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenoxy]acetic acid
CID 118387333
3-[1-[3-(hydroxymethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal
CID 54101644
2-[4-chloro-2-[2-[2-[(5-methyl-3-pyridinyl)oxy]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenoxy]acetic acid
CID 118387279
1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 12786685
[1-(3-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,2-dimethylcyclopropyl)methanone
CID 141315129
2-[4-chloro-2-[2-[2-[(5,6-dimethoxy-3-pyridinyl)oxy]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenoxy]acetic acid
CID 118387506
2-[4-chloro-2-[2-[2-[(5-chloro-3-pyridinyl)oxy]acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenoxy]acetic acid
CID 118387704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline (CID 140994493) is 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline is CC=CN1CCc2ccccc2C1c1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is MPGPSKUOHKLEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-2-10-20-11-8-13-5-3-4-6-15(13)17(20)16-12-14(18)7-9-19-16/h2-7,9-10,12,17H,8,11H2,1H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline?
1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 284.79 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-2-prop-1-enyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 140994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).