(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone

C22H19N3O3 — CID 71554991

IUPAC(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C22H19N3O3/c1-25-13-18(12-24-25)17-7-15-6-14(4-5-21(15)23-11-17)22(26)16-8-19(27-2)10-20(9-16)28-3/h4-13H,1-3H3
InChIKeyJPKWNESKWRFWSK-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.88
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone

(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone (PubChem CID 71554991) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
PubChem CID71554991
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C22H19N3O3/c1-25-13-18(12-24-25)17-7-15-6-14(4-5-21(15)23-11-17)22(26)16-8-19(27-2)10-20(9-16)28-3/h4-13H,1-3H3
InChIKeyJPKWNESKWRFWSK-UHFFFAOYSA-N
XLogP3.88
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone (CID 71554991) is (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone is COc1cc(OC)cc(C(=O)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone?
The InChIKey is JPKWNESKWRFWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-25-13-18(12-24-25)17-7-15-6-14(4-5-21(15)23-11-17)22(26)16-8-19(27-2)10-20(9-16)28-3/h4-13H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone?
(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone has a molecular weight of 373.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone is sourced from PubChem (CID 71554991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).