1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

C16H22N4 — CID 64772313

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCC(C)n1ccc(CN2CCC(N)c3ccccc32)n1
InChIInChI=1S/C16H22N4/c1-12(2)20-10-7-13(18-20)11-19-9-8-15(17)14-5-3-4-6-16(14)19/h3-7,10,12,15H,8-9,11,17H2,1-2H3
InChIKeyWKWWIBDHIISIRK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.87
Rot. Bonds3

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 64772313) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
PubChem CID64772313
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine
SMILESCC(C)n1ccc(CN2CCC(N)c3ccccc32)n1
InChIInChI=1S/C16H22N4/c1-12(2)20-10-7-13(18-20)11-19-9-8-15(17)14-5-3-4-6-16(14)19/h3-7,10,12,15H,8-9,11,17H2,1-2H3
InChIKeyWKWWIBDHIISIRK-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine (CID 64772313) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is CC(C)n1ccc(CN2CCC(N)c3ccccc32)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is WKWWIBDHIISIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)20-10-7-13(18-20)11-19-9-8-15(17)14-5-3-4-6-16(14)19/h3-7,10,12,15H,8-9,11,17H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 64772313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).