2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline

C24H21N3 — CID 58547511

IUPAC2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline
SMILESCc1cccc(-c2cccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H21N3/c1-17-6-4-8-19(14-17)21-9-5-13-25-24(21)20-15-27(16-20)23-12-11-18-7-2-3-10-22(18)26-23/h2-14,20H,15-16H2,1H3
InChIKeyPLSBBSHQYZHBAI-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.21
Rot. Bonds3

About 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline

2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline (PubChem CID 58547511) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline
PubChem CID58547511
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline
SMILESCc1cccc(-c2cccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H21N3/c1-17-6-4-8-19(14-17)21-9-5-13-25-24(21)20-15-27(16-20)23-12-11-18-7-2-3-10-22(18)26-23/h2-14,20H,15-16H2,1H3
InChIKeyPLSBBSHQYZHBAI-UHFFFAOYSA-N
XLogP5.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline (CID 58547511) is 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline is Cc1cccc(-c2cccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline?
The InChIKey is PLSBBSHQYZHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-17-6-4-8-19(14-17)21-9-5-13-25-24(21)20-15-27(16-20)23-12-11-18-7-2-3-10-22(18)26-23/h2-14,20H,15-16H2,1H3.
What are the key properties of 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline?
2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline has a molecular weight of 351.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methylphenyl)-2-pyridinyl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).