1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C21H26N4O — CID 50949802

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C21H26N4O/c1-16-5-6-20-18(12-16)4-3-9-25(20)21(26)15-24-10-7-17(8-11-24)19-13-22-23(2)14-19/h5-7,12-14H,3-4,8-11,15H2,1-2H3
InChIKeyDTCZIFPRJGLKTQ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.80
Rot. Bonds3

About 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 50949802) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID50949802
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C21H26N4O/c1-16-5-6-20-18(12-16)4-3-9-25(20)21(26)15-24-10-7-17(8-11-24)19-13-22-23(2)14-19/h5-7,12-14H,3-4,8-11,15H2,1-2H3
InChIKeyDTCZIFPRJGLKTQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 50949802) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2cnn(C)c2)CC1.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is DTCZIFPRJGLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-5-6-20-18(12-16)4-3-9-25(20)21(26)15-24-10-7-17(8-11-24)19-13-22-23(2)14-19/h5-7,12-14H,3-4,8-11,15H2,1-2H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 350.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 50949802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).