4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane

C102H128Cl2N20O7 — CID 159284799

IUPAC4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCC(=O)Nc1cnc2ccccc2c1Cl.CCc1nc2cnc3ccccc3c2n1O.CCc1nc2cnc3ccccc3c2n1OCc1ccccc1.Cc1nc2c(N)nc3ccccc3c2n1O.Cc1nc2c[n+]([O-])c3ccccc3c2n1O.Cc1nc2cnc3ccccc3c2n1O.Nc1cnc2ccccc2c1Cl
InChIInChI=1S/C19H17N3O.C12H11ClN2O.C12H11N3O.C11H10N4O.C11H9N3O2.C11H9N3O.C9H7ClN2.7C2H6.3CH4/c1-2-18-21-17-12-20-16-11-7-6-10-15(16)19(17)22(18)23-13-14-8-4-3-5-9-14;1-2-11(16)15-10-7-14-9-6-4-3-5-8(9)12(10)13;1-2-11-14-10-7-13-9-6-4-3-5-8(9)12(10)15(11)16;1-6-13-9-10(15(6)16)7-4-2-3-5-8(7)14-11(9)12;1-7-12-9-6-13(15)10-5-3-2-4-8(10)11(9)14(7)16;1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)14(7)15;10-9-6-3-1-2-4-8(6)12-5-7(9)11;7*1-2;;;/h3-12H,2,13H2,1H3;3-7H,2H2,1H3,(H,15,16);3-7,16H,2H2,1H3;2-5,16H,1H3,(H2,12,14);2-6,16H,1H3;2-6,15H,1H3;1-5H,11H2;7*1-2H3;3*1H4
InChIKeyKZJKRYFXGHXMNC-UHFFFAOYSA-N
MW1817.18 g/mol
LogP26.17
Rot. Bonds7

About 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane

4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane (PubChem CID 159284799) has the molecular formula C102H128Cl2N20O7 and a molecular weight of 1817.18 g/mol. Its IUPAC name is 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane.

Molecular Properties

Compound Name4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane
PubChem CID159284799
Molecular FormulaC102H128Cl2N20O7
Molecular Weight1817.18 g/mol
Exact Mass1814.97
IUPAC Name4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CCC(=O)Nc1cnc2ccccc2c1Cl.CCc1nc2cnc3ccccc3c2n1O.CCc1nc2cnc3ccccc3c2n1OCc1ccccc1.Cc1nc2c(N)nc3ccccc3c2n1O.Cc1nc2c[n+]([O-])c3ccccc3c2n1O.Cc1nc2cnc3ccccc3c2n1O.Nc1cnc2ccccc2c1Cl
InChIInChI=1S/C19H17N3O.C12H11ClN2O.C12H11N3O.C11H10N4O.C11H9N3O2.C11H9N3O.C9H7ClN2.7C2H6.3CH4/c1-2-18-21-17-12-20-16-11-7-6-10-15(16)19(17)22(18)23-13-14-8-4-3-5-9-14;1-2-11(16)15-10-7-14-9-6-4-3-5-8(9)12(10)13;1-2-11-14-10-7-13-9-6-4-3-5-8(9)12(10)15(11)16;1-6-13-9-10(15(6)16)7-4-2-3-5-8(7)14-11(9)12;1-7-12-9-6-13(15)10-5-3-2-4-8(10)11(9)14(7)16;1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)14(7)15;10-9-6-3-1-2-4-8(6)12-5-7(9)11;7*1-2;;;/h3-12H,2,13H2,1H3;3-7H,2H2,1H3,(H,15,16);3-7,16H,2H2,1H3;2-5,16H,1H3,(H2,12,14);2-6,16H,1H3;2-6,15H,1H3;1-5H,11H2;7*1-2H3;3*1H4
InChIKeyKZJKRYFXGHXMNC-UHFFFAOYSA-N
XLogP26.17
TPSA364.67 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds7
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.18
LogP ≤ 526.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane?
The IUPAC name of 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane (CID 159284799) is 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane.
What is the SMILES notation for 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane?
The canonical SMILES for 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CCC(=O)Nc1cnc2ccccc2c1Cl.CCc1nc2cnc3ccccc3c2n1O.CCc1nc2cnc3ccccc3c2n1OCc1ccccc1.Cc1nc2c(N)nc3ccccc3c2n1O.Cc1nc2c[n+]([O-])c3ccccc3c2n1O.Cc1nc2cnc3ccccc3c2n1O.Nc1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane?
The InChIKey is KZJKRYFXGHXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.C12H11ClN2O.C12H11N3O.C11H10N4O.C11H9N3O2.C11H9N3O.C9H7ClN2.7C2H6.3CH4/c1-2-18-21-17-12-20-16-11-7-6-10-15(16)19(17)22(18)23-13-14-8-4-3-5-9-14;1-2-11(16)15-10-7-14-9-6-4-3-5-8(9)12(10)13;1-2-11-14-10-7-13-9-6-4-3-5-8(9)12(10)15(11)16;1-6-13-9-10(15(6)16)7-4-2-3-5-8(7)14-11(9)12;1-7-12-9-6-13(15)10-5-3-2-4-8(10)11(9)14(7)16;1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)14(7)15;10-9-6-3-1-2-4-8(6)12-5-7(9)11;7*1-2;;;/h3-12H,2,13H2,1H3;3-7H,2H2,1H3,(H,15,16);3-7,16H,2H2,1H3;2-5,16H,1H3,(H2,12,14);2-6,16H,1H3;2-6,15H,1H3;1-5H,11H2;7*1-2H3;3*1H4.
What are the key properties of 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane?
4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane has a molecular weight of 1817.18 g/mol, XLogP of 26.17, 7 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinolin-3-amine;N-(4-chloroquinolin-3-yl)propanamide;ethane;2-ethyl-1-hydroxyimidazo[4,5-c]quinoline;2-ethyl-1-phenylmethoxyimidazo[4,5-c]quinoline;1-hydroxy-2-methylimidazo[4,5-c]quinolin-4-amine;1-hydroxy-2-methylimidazo[4,5-c]quinoline;1-hydroxy-2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium;methane is sourced from PubChem (CID 159284799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).