(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline

C19H17N — CID 102250958

IUPAC(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC[C@@H](c1ccc3ccccc3c1)N2
InChIInChI=1S/C19H17N/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19/h1-10,13,19-20H,11-12H2/t19-/m0/s1
InChIKeyKYSNLPLOOGGRAF-IBGZPJMESA-N
MW259.35 g/mol
LogP4.94
Rot. Bonds1

About (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline

(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 102250958) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID102250958
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC[C@@H](c1ccc3ccccc3c1)N2
InChIInChI=1S/C19H17N/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19/h1-10,13,19-20H,11-12H2/t19-/m0/s1
InChIKeyKYSNLPLOOGGRAF-IBGZPJMESA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline (CID 102250958) is (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC[C@@H](c1ccc3ccccc3c1)N2.
What is the InChIKey of (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is KYSNLPLOOGGRAF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19/h1-10,13,19-20H,11-12H2/t19-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline?
(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.35 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102250958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).