N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine

C15H20N2O2S — CID 105021408

IUPACN-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
SMILESCCNC(c1ccc2cccnc2c1)C(C)S(C)(=O)=O
InChIInChI=1S/C15H20N2O2S/c1-4-16-15(11(2)20(3,18)19)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15-16H,4H2,1-3H3
InChIKeyXRWHGEXTYWKWKZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine

N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine (PubChem CID 105021408) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
PubChem CID105021408
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
SMILESCCNC(c1ccc2cccnc2c1)C(C)S(C)(=O)=O
InChIInChI=1S/C15H20N2O2S/c1-4-16-15(11(2)20(3,18)19)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15-16H,4H2,1-3H3
InChIKeyXRWHGEXTYWKWKZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 81231185
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021598
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231123
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
(3R)-3-quinolin-7-ylbutanal
CID 59922967
N-[(1-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 105021674
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine (CID 105021408) is N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine is CCNC(c1ccc2cccnc2c1)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
The InChIKey is XRWHGEXTYWKWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-16-15(11(2)20(3,18)19)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15-16H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine?
N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine is sourced from PubChem (CID 105021408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).