acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine

C88H91Cl4N11O11 — CID 158006796

IUPACacetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine
SMILESC.C1COCCN1.CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1.CC(=O)OC(C)=O.Nc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C23H23ClN2O2.C20H18ClN3O2.C20H20ClN3O.C16H11ClN2O2.C4H9NO.C4H6O3.CH4/c1-16(27)13-17-5-7-18(8-6-17)22-14-19(15-26-9-11-28-12-10-26)20-3-2-4-21(24)23(20)25-22;21-17-3-1-2-15-16(20(25)24-8-10-26-11-9-24)12-18(23-19(15)17)13-4-6-14(22)7-5-13;21-18-3-1-2-17-15(13-24-8-10-25-11-9-24)12-19(23-20(17)18)14-4-6-16(22)7-5-14;17-13-3-1-2-11-12(16(20)21)8-14(19-15(11)13)9-4-6-10(18)7-5-9;1-3-6-4-2-5-1;1-3(5)7-4(2)6;/h2-8,14H,9-13,15H2,1H3;1-7,12H,8-11,22H2;1-7,12H,8-11,13,22H2;1-8H,18H2,(H,20,21);5H,1-4H2;1-2H3;1H4
InChIKeyFEJULNGDSCUPOI-UHFFFAOYSA-N
MW1620.57 g/mol
LogP16.27
Rot. Bonds12

About acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine

acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine (PubChem CID 158006796) has the molecular formula C88H91Cl4N11O11 and a molecular weight of 1620.57 g/mol. Its IUPAC name is acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine.

Molecular Properties

Compound Nameacetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine
PubChem CID158006796
Molecular FormulaC88H91Cl4N11O11
Molecular Weight1620.57 g/mol
Exact Mass1617.57
IUPAC Nameacetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine
SMILESC.C1COCCN1.CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1.CC(=O)OC(C)=O.Nc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C23H23ClN2O2.C20H18ClN3O2.C20H20ClN3O.C16H11ClN2O2.C4H9NO.C4H6O3.CH4/c1-16(27)13-17-5-7-18(8-6-17)22-14-19(15-26-9-11-28-12-10-26)20-3-2-4-21(24)23(20)25-22;21-17-3-1-2-15-16(20(25)24-8-10-26-11-9-24)12-18(23-19(15)17)13-4-6-14(22)7-5-13;21-18-3-1-2-17-15(13-24-8-10-25-11-9-24)12-19(23-20(17)18)14-4-6-16(22)7-5-14;17-13-3-1-2-11-12(16(20)21)8-14(19-15(11)13)9-4-6-10(18)7-5-9;1-3-6-4-2-5-1;1-3(5)7-4(2)6;/h2-8,14H,9-13,15H2,1H3;1-7,12H,8-11,22H2;1-7,12H,8-11,13,22H2;1-8H,18H2,(H,20,21);5H,1-4H2;1-2H3;1H4
InChIKeyFEJULNGDSCUPOI-UHFFFAOYSA-N
XLogP16.27
TPSA303.10 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.57
LogP ≤ 516.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine?
The IUPAC name of acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine (CID 158006796) is acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine.
What is the SMILES notation for acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine?
The canonical SMILES for acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine is C.C1COCCN1.CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1.CC(=O)OC(C)=O.Nc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1.Nc1ccc(-c2cc(CN3CCOCC3)c3cccc(Cl)c3n2)cc1.
What is the InChIKey of acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine?
The InChIKey is FEJULNGDSCUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2.C20H18ClN3O2.C20H20ClN3O.C16H11ClN2O2.C4H9NO.C4H6O3.CH4/c1-16(27)13-17-5-7-18(8-6-17)22-14-19(15-26-9-11-28-12-10-26)20-3-2-4-21(24)23(20)25-22;21-17-3-1-2-15-16(20(25)24-8-10-26-11-9-24)12-18(23-19(15)17)13-4-6-14(22)7-5-13;21-18-3-1-2-17-15(13-24-8-10-25-11-9-24)12-19(23-20(17)18)14-4-6-16(22)7-5-14;17-13-3-1-2-11-12(16(20)21)8-14(19-15(11)13)9-4-6-10(18)7-5-9;1-3-6-4-2-5-1;1-3(5)7-4(2)6;/h2-8,14H,9-13,15H2,1H3;1-7,12H,8-11,22H2;1-7,12H,8-11,13,22H2;1-8H,18H2,(H,20,21);5H,1-4H2;1-2H3;1H4.
What are the key properties of acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine?
acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine has a molecular weight of 1620.57 g/mol, XLogP of 16.27, 12 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;2-(4-aminophenyl)-8-chloroquinoline-4-carboxylic acid;[2-(4-aminophenyl)-8-chloroquinolin-4-yl]-morpholin-4-ylmethanone;4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]aniline;1-[4-[8-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;methane;morpholine is sourced from PubChem (CID 158006796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).