(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone

C19H17N3O — CID 167775678

IUPAC(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone
SMILESCc1cnccc1C(=O)N1CC(c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H17N3O/c1-13-10-20-9-8-16(13)19(23)22-11-15(12-22)18-7-6-14-4-2-3-5-17(14)21-18/h2-10,15H,11-12H2,1H3
InChIKeySGWVSCWAKSTHGN-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.18
Rot. Bonds2

About (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone

(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone (PubChem CID 167775678) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone
PubChem CID167775678
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone
SMILESCc1cnccc1C(=O)N1CC(c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H17N3O/c1-13-10-20-9-8-16(13)19(23)22-11-15(12-22)18-7-6-14-4-2-3-5-17(14)21-18/h2-10,15H,11-12H2,1H3
InChIKeySGWVSCWAKSTHGN-UHFFFAOYSA-N
XLogP3.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone?
The IUPAC name of (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone (CID 167775678) is (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone is Cc1cnccc1C(=O)N1CC(c2ccc3ccccc3n2)C1.
What is the InChIKey of (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone?
The InChIKey is SGWVSCWAKSTHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-10-20-9-8-16(13)19(23)22-11-15(12-22)18-7-6-14-4-2-3-5-17(14)21-18/h2-10,15H,11-12H2,1H3.
What are the key properties of (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone?
(3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-(3-quinolin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 167775678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).