8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine

C16H19ClN2O — CID 125443671

IUPAC8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine
SMILESClc1cccc2ccc(NCC[C@H]3CCCOC3)nc12
InChIInChI=1S/C16H19ClN2O/c17-14-5-1-4-13-6-7-15(19-16(13)14)18-9-8-12-3-2-10-20-11-12/h1,4-7,12H,2-3,8-11H2,(H,18,19)/t12-/m1/s1
InChIKeyQWRPWMYWTFZKFJ-GFCCVEGCSA-N
MW290.79 g/mol
LogP4.12
Rot. Bonds4

About 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine

8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine (PubChem CID 125443671) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine
PubChem CID125443671
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine
SMILESClc1cccc2ccc(NCC[C@H]3CCCOC3)nc12
InChIInChI=1S/C16H19ClN2O/c17-14-5-1-4-13-6-7-15(19-16(13)14)18-9-8-12-3-2-10-20-11-12/h1,4-7,12H,2-3,8-11H2,(H,18,19)/t12-/m1/s1
InChIKeyQWRPWMYWTFZKFJ-GFCCVEGCSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
2-(3-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)-4-quinazolinamine
CID 2958410
8-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]quinolin-2-amine
CID 60200772
1-[3-[[4-[(8-Chloroquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-2-en-9-yl]ethanone
CID 44455621
[1-[4-[2-(3-Chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
CID 154488209
2-[(2-Chlorophenanthridin-6-yl)amino]butan-1-ol
CID 287384
2-(3-chlorophenyl)-N-[3-(4-morpholinyl)propyl]-4-quinazolinamine
CID 1642427
N'-[2-[4-(2-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
CID 127044049
8-Chloro-N-(3-fluorophenyl)-2-quinolinamine
CID 49839040
3-Chloranyl-2-piperazin-1-yl-quinoline
CID 153987774
N-[2-(4-chlorophenyl)ethyl]-2-methoxyquinazolin-4-amine
CID 44367460

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine (CID 125443671) is 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine is Clc1cccc2ccc(NCC[C@H]3CCCOC3)nc12.
What is the InChIKey of 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine?
The InChIKey is QWRPWMYWTFZKFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-5-1-4-13-6-7-15(19-16(13)14)18-9-8-12-3-2-10-20-11-12/h1,4-7,12H,2-3,8-11H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine?
8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-[(3R)-oxan-3-yl]ethyl]quinolin-2-amine is sourced from PubChem (CID 125443671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).