(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone

C16H12N2O — CID 81220476

IUPAC(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
SMILESCc1cccnc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C16H12N2O/c1-11-5-3-10-18-15(11)16(19)13-6-2-8-14-12(13)7-4-9-17-14/h2-10H,1H3
InChIKeyMFTUFERKHLRPGF-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.17
Rot. Bonds2

About (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone

(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone (PubChem CID 81220476) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
PubChem CID81220476
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
SMILESCc1cccnc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C16H12N2O/c1-11-5-3-10-18-15(11)16(19)13-6-2-8-14-12(13)7-4-9-17-14/h2-10H,1H3
InChIKeyMFTUFERKHLRPGF-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone?
The IUPAC name of (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone (CID 81220476) is (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone is Cc1cccnc1C(=O)c1cccc2ncccc12.
What is the InChIKey of (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone?
The InChIKey is MFTUFERKHLRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-11-5-3-10-18-15(11)16(19)13-6-2-8-14-12(13)7-4-9-17-14/h2-10H,1H3.
What are the key properties of (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone?
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone has a molecular weight of 248.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 81220476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).