7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline

C18H17N3 — CID 129394657

IUPAC7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccnnc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)14-7-6-13-8-9-19-20-18(13)10-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyAANQJUJEVSDSFA-KRWDZBQOSA-N
MW275.36 g/mol
LogP3.21
Rot. Bonds1

About 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline

7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline (PubChem CID 129394657) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline.

Molecular Properties

Compound Name7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
PubChem CID129394657
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
SMILESCN1Cc2ccccc2[C@H](c2ccc3ccnnc3c2)C1
InChIInChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)14-7-6-13-8-9-19-20-18(13)10-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyAANQJUJEVSDSFA-KRWDZBQOSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The IUPAC name of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline (CID 129394657) is 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline.
What is the SMILES notation for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The canonical SMILES for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline is CN1Cc2ccccc2[C@H](c2ccc3ccnnc3c2)C1.
What is the InChIKey of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
The InChIKey is AANQJUJEVSDSFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N3/c1-21-11-15-4-2-3-5-16(15)17(12-21)14-7-6-13-8-9-19-20-18(13)10-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline?
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline has a molecular weight of 275.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline is sourced from PubChem (CID 129394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).