(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline

C25H27N3O — CID 59371322

IUPAC(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(C[C@H]2CCc3ccccc3N2)cc(-c2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C25H27N3O/c1-2-7-25-19(5-1)8-9-22(28-25)13-18-4-3-6-20(12-18)21-14-24(16-26-15-21)29-17-23-10-11-27-23/h1-7,12,14-16,22-23,27-28H,8-11,13,17H2/t22-,23+/m1/s1
InChIKeyRSTQADSXDJCGRE-PKTZIBPZSA-N
MW385.51 g/mol
LogP4.46
Rot. Bonds6

About (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline

(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 59371322) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID59371322
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(C[C@H]2CCc3ccccc3N2)cc(-c2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C25H27N3O/c1-2-7-25-19(5-1)8-9-22(28-25)13-18-4-3-6-20(12-18)21-14-24(16-26-15-21)29-17-23-10-11-27-23/h1-7,12,14-16,22-23,27-28H,8-11,13,17H2/t22-,23+/m1/s1
InChIKeyRSTQADSXDJCGRE-PKTZIBPZSA-N
XLogP4.46
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline (CID 59371322) is (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline is c1cc(C[C@H]2CCc3ccccc3N2)cc(-c2cncc(OC[C@@H]3CCN3)c2)c1.
What is the InChIKey of (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is RSTQADSXDJCGRE-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H27N3O/c1-2-7-25-19(5-1)8-9-22(28-25)13-18-4-3-6-20(12-18)21-14-24(16-26-15-21)29-17-23-10-11-27-23/h1-7,12,14-16,22-23,27-28H,8-11,13,17H2/t22-,23+/m1/s1.
What are the key properties of (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline?
(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 385.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59371322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).