4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride

C98H94Cl11F6N13O12 — CID 159452679

IUPAC4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCOc1ccc(N)c(Cl)c1.COc1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1.Cl.ClCCN1CCOCC1.Clc1ccc2cc(OCCN3CCOCC3)cc(Cl)c2n1.FC(F)(F)c1ccnc(Nc2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1.Nc1cc(C(F)(F)F)ccn1.O=C(Cl)/C=C/c1ccccc1.O=c1ccc2cc(O)cc(Cl)c2[nH]1.Oc1cc(Cl)c2nc(Cl)ccc2c1
InChIInChI=1S/C21H20ClF3N4O2.C16H14ClNO2.C15H16Cl2N2O2.C9H5Cl2NO.C9H6ClNO2.C9H7ClO.C7H8ClNO.C6H12ClNO.C6H5F3N2.ClH/c22-17-13-16(31-10-7-29-5-8-30-9-6-29)11-14-1-2-18(28-20(14)17)27-19-12-15(3-4-26-19)21(23,24)25;1-20-13-8-9-15(14(17)11-13)18-16(19)10-7-12-5-3-2-4-6-12;16-13-10-12(9-11-1-2-14(17)18-15(11)13)21-8-5-19-3-6-20-7-4-19;10-7-4-6(13)3-5-1-2-8(11)12-9(5)7;10-7-4-6(12)3-5-1-2-8(13)11-9(5)7;10-9(11)7-6-8-4-2-1-3-5-8;1-10-5-2-3-7(9)6(8)4-5;7-1-2-8-3-5-9-6-4-8;7-6(8,9)4-1-2-11-5(10)3-4;/h1-4,11-13H,5-10H2,(H,26,27,28);2-11H,1H3,(H,18,19);1-2,9-10H,3-8H2;1-4,13H;1-4,12H,(H,11,13);1-7H;2-4H,9H2,1H3;1-6H2;1-3H,(H2,10,11);1H/b;10-7+;;;;7-6+;;;;
InChIKeyIGQAFSCKOGPKGU-HFKKXVAQSA-N
MW2149.88 g/mol
LogP24.20
Rot. Bonds19

About 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride

4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 159452679) has the molecular formula C98H94Cl11F6N13O12 and a molecular weight of 2149.88 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID159452679
Molecular FormulaC98H94Cl11F6N13O12
Molecular Weight2149.88 g/mol
Exact Mass2143.36
IUPAC Name4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCOc1ccc(N)c(Cl)c1.COc1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1.Cl.ClCCN1CCOCC1.Clc1ccc2cc(OCCN3CCOCC3)cc(Cl)c2n1.FC(F)(F)c1ccnc(Nc2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1.Nc1cc(C(F)(F)F)ccn1.O=C(Cl)/C=C/c1ccccc1.O=c1ccc2cc(O)cc(Cl)c2[nH]1.Oc1cc(Cl)c2nc(Cl)ccc2c1
InChIInChI=1S/C21H20ClF3N4O2.C16H14ClNO2.C15H16Cl2N2O2.C9H5Cl2NO.C9H6ClNO2.C9H7ClO.C7H8ClNO.C6H12ClNO.C6H5F3N2.ClH/c22-17-13-16(31-10-7-29-5-8-30-9-6-29)11-14-1-2-18(28-20(14)17)27-19-12-15(3-4-26-19)21(23,24)25;1-20-13-8-9-15(14(17)11-13)18-16(19)10-7-12-5-3-2-4-6-12;16-13-10-12(9-11-1-2-14(17)18-15(11)13)21-8-5-19-3-6-20-7-4-19;10-7-4-6(13)3-5-1-2-8(11)12-9(5)7;10-7-4-6(12)3-5-1-2-8(13)11-9(5)7;10-9(11)7-6-8-4-2-1-3-5-8;1-10-5-2-3-7(9)6(8)4-5;7-1-2-8-3-5-9-6-4-8;7-6(8,9)4-1-2-11-5(10)3-4;/h1-4,11-13H,5-10H2,(H,26,27,28);2-11H,1H3,(H,18,19);1-2,9-10H,3-8H2;1-4,13H;1-4,12H,(H,11,13);1-7H;2-4H,9H2,1H3;1-6H2;1-3H,(H2,10,11);1H/b;10-7+;;;;7-6+;;;;
InChIKeyIGQAFSCKOGPKGU-HFKKXVAQSA-N
XLogP24.20
TPSA322.34 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002149.88
LogP ≤ 524.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 159452679) is 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride is COc1ccc(N)c(Cl)c1.COc1ccc(NC(=O)/C=C/c2ccccc2)c(Cl)c1.Cl.ClCCN1CCOCC1.Clc1ccc2cc(OCCN3CCOCC3)cc(Cl)c2n1.FC(F)(F)c1ccnc(Nc2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1.Nc1cc(C(F)(F)F)ccn1.O=C(Cl)/C=C/c1ccccc1.O=c1ccc2cc(O)cc(Cl)c2[nH]1.Oc1cc(Cl)c2nc(Cl)ccc2c1.
What is the InChIKey of 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is IGQAFSCKOGPKGU-HFKKXVAQSA-N. The full InChI is InChI=1S/C21H20ClF3N4O2.C16H14ClNO2.C15H16Cl2N2O2.C9H5Cl2NO.C9H6ClNO2.C9H7ClO.C7H8ClNO.C6H12ClNO.C6H5F3N2.ClH/c22-17-13-16(31-10-7-29-5-8-30-9-6-29)11-14-1-2-18(28-20(14)17)27-19-12-15(3-4-26-19)21(23,24)25;1-20-13-8-9-15(14(17)11-13)18-16(19)10-7-12-5-3-2-4-6-12;16-13-10-12(9-11-1-2-14(17)18-15(11)13)21-8-5-19-3-6-20-7-4-19;10-7-4-6(13)3-5-1-2-8(11)12-9(5)7;10-7-4-6(12)3-5-1-2-8(13)11-9(5)7;10-9(11)7-6-8-4-2-1-3-5-8;1-10-5-2-3-7(9)6(8)4-5;7-1-2-8-3-5-9-6-4-8;7-6(8,9)4-1-2-11-5(10)3-4;/h1-4,11-13H,5-10H2,(H,26,27,28);2-11H,1H3,(H,18,19);1-2,9-10H,3-8H2;1-4,13H;1-4,12H,(H,11,13);1-7H;2-4H,9H2,1H3;1-6H2;1-3H,(H2,10,11);1H/b;10-7+;;;;7-6+;;;;.
What are the key properties of 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 2149.88 g/mol, XLogP of 24.20, 19 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 159452679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).