6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline

C20H25N3O — CID 59371573

IUPAC6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCN2
InChIInChI=1S/C20H25N3O/c1-2-17-10-15(5-6-20(17)23-8-1)3-4-16-11-19(13-21-12-16)24-14-18-7-9-22-18/h5-6,10-13,18,22-23H,1-4,7-9,14H2/t18-/m0/s1
InChIKeyMAKVSTVRHRFWDZ-SFHVURJKSA-N
MW323.44 g/mol
LogP2.97
Rot. Bonds6

About 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline

6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 59371573) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID59371573
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCN2
InChIInChI=1S/C20H25N3O/c1-2-17-10-15(5-6-20(17)23-8-1)3-4-16-11-19(13-21-12-16)24-14-18-7-9-22-18/h5-6,10-13,18,22-23H,1-4,7-9,14H2/t18-/m0/s1
InChIKeyMAKVSTVRHRFWDZ-SFHVURJKSA-N
XLogP2.97
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline (CID 59371573) is 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1CCc1cncc(OC[C@@H]3CCN3)c1)CCCN2.
What is the InChIKey of 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is MAKVSTVRHRFWDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-17-10-15(5-6-20(17)23-8-1)3-4-16-11-19(13-21-12-16)24-14-18-7-9-22-18/h5-6,10-13,18,22-23H,1-4,7-9,14H2/t18-/m0/s1.
What are the key properties of 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline?
6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 323.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59371573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).