N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine

C16H22N4 — CID 147895995

IUPACN-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
SMILESCNCCn1cc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H22N4/c1-17-7-9-20-12-15(11-18-20)13-5-6-16-14(10-13)4-3-8-19(16)2/h5-6,10-12,17H,3-4,7-9H2,1-2H3
InChIKeyIDHWVJNUKFQDPG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine

N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine (PubChem CID 147895995) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
PubChem CID147895995
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
SMILESCNCCn1cc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C16H22N4/c1-17-7-9-20-12-15(11-18-20)13-5-6-16-14(10-13)4-3-8-19(16)2/h5-6,10-12,17H,3-4,7-9H2,1-2H3
InChIKeyIDHWVJNUKFQDPG-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine (CID 147895995) is N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine is CNCCn1cc(-c2ccc3c(c2)CCCN3C)cn1.
What is the InChIKey of N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine?
The InChIKey is IDHWVJNUKFQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-17-7-9-20-12-15(11-18-20)13-5-6-16-14(10-13)4-3-8-19(16)2/h5-6,10-12,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine?
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 147895995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).