4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane

C65H105ClN4O3Sn — CID 157457138

IUPAC4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane
SMILESC.C.C.C.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(C)nc2c1C(=O)CCC2.CCc1cc(C)nc2c1C(C)CCC2.CCc1cc(C)nc2c1C(O)CCC2.Cc1cc(Cl)c2c(n1)CCCC2=O
InChIInChI=1S/C13H19N.C12H17NO.C12H13NO.C10H10ClNO.3C4H9.C2H3.4CH4.Sn/c1-4-11-8-10(3)14-12-7-5-6-9(2)13(11)12;2*1-3-9-7-8(2)13-10-5-4-6-11(14)12(9)10;1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;3*1-3-4-2;1-2;;;;;/h8-9H,4-7H2,1-3H3;7,11,14H,3-6H2,1-2H3;3,7H,1,4-6H2,2H3;5H,2-4H2,1H3;3*1,3-4H2,2H3;1H,2H2;4*1H4;
InChIKeyBTMLZIOBEMPPJU-UHFFFAOYSA-N
MW1144.74 g/mol
LogP18.93
Rot. Bonds13

About 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane

4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane (PubChem CID 157457138) has the molecular formula C65H105ClN4O3Sn and a molecular weight of 1144.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane.

Molecular Properties

Compound Name4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane
PubChem CID157457138
Molecular FormulaC65H105ClN4O3Sn
Molecular Weight1144.74 g/mol
Exact Mass1144.69
IUPAC Name4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane
SMILESC.C.C.C.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(C)nc2c1C(=O)CCC2.CCc1cc(C)nc2c1C(C)CCC2.CCc1cc(C)nc2c1C(O)CCC2.Cc1cc(Cl)c2c(n1)CCCC2=O
InChIInChI=1S/C13H19N.C12H17NO.C12H13NO.C10H10ClNO.3C4H9.C2H3.4CH4.Sn/c1-4-11-8-10(3)14-12-7-5-6-9(2)13(11)12;2*1-3-9-7-8(2)13-10-5-4-6-11(14)12(9)10;1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;3*1-3-4-2;1-2;;;;;/h8-9H,4-7H2,1-3H3;7,11,14H,3-6H2,1-2H3;3,7H,1,4-6H2,2H3;5H,2-4H2,1H3;3*1,3-4H2,2H3;1H,2H2;4*1H4;
InChIKeyBTMLZIOBEMPPJU-UHFFFAOYSA-N
XLogP18.93
TPSA105.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.74
LogP ≤ 518.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane with MolForge

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Launch Full Analysis

Related Compounds

bis(2-chloro-4,5-dimethyl-5,6,7,8-tetrahydroquinoline);2-chloro-4-methyl-7,8-dihydro-6H-quinolin-5-one;2-chloro-4-methyl-5,6,7,8-tetrahydroquinolin-5-ol;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
CID 158165096
(1R)-1-(2-chloro-7-fluoroquinolin-3-yl)ethanol;1-(2-chloro-7-fluoroquinolin-3-yl)ethanone
CID 159309998
1-(2-Chloro-7-fluoroquinolin-3-yl)ethanol;1-(2-chloro-7-fluoroquinolin-3-yl)ethanone
CID 159309999
2-chloro-7,8-dihydro-6H-quinolin-5-one;bis(2,5-dimethyl-5,6,7,8-tetrahydroquinoline);methane;2-methyl-7,8-dihydro-6H-quinolin-5-one;2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;1,6,7,8-tetrahydroquinoline-2,5-dione
CID 160424128
3-aminocyclohex-2-en-1-one;4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;2,4-dichloro-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-7,8-dihydro-6H-quinolin-5-one;2,4-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol;4-hydroxy-1,6,7,8-tetrahydroquinoline-2,5-dione;methane;pentane-2,4-dione;bis(2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline);tritium monohydride
CID 161058209
(3aR)-5-hydroxy-1-trimethylsilyl-3,3a,4,5-tetrahydrocyclopenta[c]acridin-2-one;2-chloroquinoline-3-carbaldehyde;1-(2-methylquinolin-3-yl)but-3-en-1-ol
CID 161627206
2-(2-Chlorophenyl)-7-fluoroquinoline-3-carbaldehyde;1-[2-(2-chlorophenyl)-7-fluoroquinolin-3-yl]ethanol
CID 161953812
(1R)-1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanol;1-(2,8-dichloroquinolin-3-yl)ethanone
CID 162141915

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane?
The IUPAC name of 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane (CID 157457138) is 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane.
What is the SMILES notation for 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane?
The canonical SMILES for 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane is C.C.C.C.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(C)nc2c1C(=O)CCC2.CCc1cc(C)nc2c1C(C)CCC2.CCc1cc(C)nc2c1C(O)CCC2.Cc1cc(Cl)c2c(n1)CCCC2=O.
What is the InChIKey of 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane?
The InChIKey is BTMLZIOBEMPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H13NO.C10H10ClNO.3C4H9.C2H3.4CH4.Sn/c1-4-11-8-10(3)14-12-7-5-6-9(2)13(11)12;2*1-3-9-7-8(2)13-10-5-4-6-11(14)12(9)10;1-6-5-7(11)10-8(12-6)3-2-4-9(10)13;3*1-3-4-2;1-2;;;;;/h8-9H,4-7H2,1-3H3;7,11,14H,3-6H2,1-2H3;3,7H,1,4-6H2,2H3;5H,2-4H2,1H3;3*1,3-4H2,2H3;1H,2H2;4*1H4;.
What are the key properties of 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane?
4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane has a molecular weight of 1144.74 g/mol, XLogP of 18.93, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethenyl-2-methyl-7,8-dihydro-6H-quinolin-5-one;4-ethyl-2,5-dimethyl-5,6,7,8-tetrahydroquinoline;4-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-5-ol;methane;tributyl(ethenyl)stannane is sourced from PubChem (CID 157457138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).