8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine

C15H15ClN2O — CID 62066925

IUPAC8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCC2CCC=CO2)c2cccnc12
InChIInChI=1S/C15H15ClN2O/c16-13-6-7-14(12-5-3-8-17-15(12)13)18-10-11-4-1-2-9-19-11/h2-3,5-9,11,18H,1,4,10H2
InChIKeyZIQJCTZIMKGMTM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.99
Rot. Bonds3

About 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine

8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine (PubChem CID 62066925) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine
PubChem CID62066925
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine
SMILESClc1ccc(NCC2CCC=CO2)c2cccnc12
InChIInChI=1S/C15H15ClN2O/c16-13-6-7-14(12-5-3-8-17-15(12)13)18-10-11-4-1-2-9-19-11/h2-3,5-9,11,18H,1,4,10H2
InChIKeyZIQJCTZIMKGMTM-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
8-chloro-N-heptylquinolin-5-amine
CID 43731731
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]quinolin-8-amine
CID 116784042
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
2-chloro-5-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoic acid
CID 62065988
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
CID 63445839
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
CID 63449092
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine?
The IUPAC name of 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine (CID 62066925) is 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine?
The canonical SMILES for 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine is Clc1ccc(NCC2CCC=CO2)c2cccnc12.
What is the InChIKey of 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine?
The InChIKey is ZIQJCTZIMKGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-6-7-14(12-5-3-8-17-15(12)13)18-10-11-4-1-2-9-19-11/h2-3,5-9,11,18H,1,4,10H2.
What are the key properties of 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine?
8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine has a molecular weight of 274.75 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)quinolin-5-amine is sourced from PubChem (CID 62066925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).