(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H19N3O2 — CID 61258727

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H19N3O2/c1-10-15(11(2)18-17-10)16(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGPDKAOZVBQNCTP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.63
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 61258727) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID61258727
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H19N3O2/c1-10-15(11(2)18-17-10)16(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyGPDKAOZVBQNCTP-UHFFFAOYSA-N
XLogP2.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 146082584
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(2,6-dimethylquinolin-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47015619
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60701144
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 61258727) is (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GPDKAOZVBQNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-15(11(2)18-17-10)16(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 61258727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).