(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone

C16H12N2O2 — CID 105123960

IUPAC(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
SMILESCOc1cncc(C(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C16H12N2O2/c1-20-12-8-11(9-17-10-12)16(19)14-6-7-18-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyHFHWDTPGHFGGSN-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.87
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone

(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone (PubChem CID 105123960) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
PubChem CID105123960
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
SMILESCOc1cncc(C(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C16H12N2O2/c1-20-12-8-11(9-17-10-12)16(19)14-6-7-18-15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyHFHWDTPGHFGGSN-UHFFFAOYSA-N
XLogP2.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(3-methoxypyrazin-2-yl)-quinolin-4-ylmethanone
CID 105126876
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone?
The IUPAC name of (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone (CID 105123960) is (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone?
The canonical SMILES for (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone is COc1cncc(C(=O)c2ccnc3ccccc23)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone?
The InChIKey is HFHWDTPGHFGGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-20-12-8-11(9-17-10-12)16(19)14-6-7-18-15-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone?
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone has a molecular weight of 264.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 105123960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).