(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone

C19H19N3O2 — CID 112829094

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C19H19N3O2/c1-12-5-7-17-14(10-12)4-3-9-22(17)19(23)16-11-15(20-21-16)18-8-6-13(2)24-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyTWGVQWHDYAYSJJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.88
Rot. Bonds2

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 112829094) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID112829094
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C19H19N3O2/c1-12-5-7-17-14(10-12)4-3-9-22(17)19(23)16-11-15(20-21-16)18-8-6-13(2)24-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyTWGVQWHDYAYSJJ-UHFFFAOYSA-N
XLogP3.88
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
2-methoxy-1-[11-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 133070081
3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 103337008
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867
3-methyl-1-[11-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]butan-1-one
CID 133072765
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119634590
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70732393
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone
CID 90511576
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119685855

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone (CID 112829094) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc(C)o2)[nH]n1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is TWGVQWHDYAYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-7-17-14(10-12)4-3-9-22(17)19(23)16-11-15(20-21-16)18-8-6-13(2)24-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 112829094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).