acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine

C83H75Cl4N7O15 — CID 159357389

IUPACacetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine
SMILESC1COCCN1.CC(=O)Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)cc1.CC(=O)Cc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.CC(=O)OC(C)=O.CC(=O)c1ccc(N)cc1.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.O=C1Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H21ClN2O3.C19H14ClNO3.C16H11ClN2O2.C9H5ClO2.C8H9NO.C4H9NO.C4H6O3/c1-15(27)12-16-2-4-17(5-3-16)22-14-20(23(28)26-8-10-29-11-9-26)19-13-18(24)6-7-21(19)25-22;1-11(22)8-12-2-4-13(5-3-12)18-10-16(19(23)24)15-9-14(20)6-7-17(15)21-18;17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9;10-6-2-1-5-3-8(11)9(12)7(5)4-6;1-6(10)7-2-4-8(9)5-3-7;1-3-6-4-2-5-1;1-3(5)7-4(2)6/h2-7,13-14H,8-12H2,1H3;2-7,9-10H,8H2,1H3,(H,23,24);1-8H,18H2,(H,20,21);1-2,4H,3H2;2-5H,9H2,1H3;5H,1-4H2;1-2H3
InChIKeyLICFTKPBPBRXQE-UHFFFAOYSA-N
MW1552.36 g/mol
LogP15.20
Rot. Bonds11

About acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine

acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine (PubChem CID 159357389) has the molecular formula C83H75Cl4N7O15 and a molecular weight of 1552.36 g/mol. Its IUPAC name is acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine.

Molecular Properties

Compound Nameacetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine
PubChem CID159357389
Molecular FormulaC83H75Cl4N7O15
Molecular Weight1552.36 g/mol
Exact Mass1549.41
IUPAC Nameacetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine
SMILESC1COCCN1.CC(=O)Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)cc1.CC(=O)Cc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.CC(=O)OC(C)=O.CC(=O)c1ccc(N)cc1.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.O=C1Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H21ClN2O3.C19H14ClNO3.C16H11ClN2O2.C9H5ClO2.C8H9NO.C4H9NO.C4H6O3/c1-15(27)12-16-2-4-17(5-3-16)22-14-20(23(28)26-8-10-29-11-9-26)19-13-18(24)6-7-21(19)25-22;1-11(22)8-12-2-4-13(5-3-12)18-10-16(19(23)24)15-9-14(20)6-7-17(15)21-18;17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9;10-6-2-1-5-3-8(11)9(12)7(5)4-6;1-6(10)7-2-4-8(9)5-3-7;1-3-6-4-2-5-1;1-3(5)7-4(2)6/h2-7,13-14H,8-12H2,1H3;2-7,9-10H,8H2,1H3,(H,23,24);1-8H,18H2,(H,20,21);1-2,4H,3H2;2-5H,9H2,1H3;5H,1-4H2;1-2H3
InChIKeyLICFTKPBPBRXQE-UHFFFAOYSA-N
XLogP15.20
TPSA344.83 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.36
LogP ≤ 515.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine?
The IUPAC name of acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine (CID 159357389) is acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine.
What is the SMILES notation for acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine?
The canonical SMILES for acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine is C1COCCN1.CC(=O)Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)cc1.CC(=O)Cc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.CC(=O)OC(C)=O.CC(=O)c1ccc(N)cc1.Nc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.O=C1Cc2ccc(Cl)cc2C1=O.
What is the InChIKey of acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine?
The InChIKey is LICFTKPBPBRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3.C19H14ClNO3.C16H11ClN2O2.C9H5ClO2.C8H9NO.C4H9NO.C4H6O3/c1-15(27)12-16-2-4-17(5-3-16)22-14-20(23(28)26-8-10-29-11-9-26)19-13-18(24)6-7-21(19)25-22;1-11(22)8-12-2-4-13(5-3-12)18-10-16(19(23)24)15-9-14(20)6-7-17(15)21-18;17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9;10-6-2-1-5-3-8(11)9(12)7(5)4-6;1-6(10)7-2-4-8(9)5-3-7;1-3-6-4-2-5-1;1-3(5)7-4(2)6/h2-7,13-14H,8-12H2,1H3;2-7,9-10H,8H2,1H3,(H,23,24);1-8H,18H2,(H,20,21);1-2,4H,3H2;2-5H,9H2,1H3;5H,1-4H2;1-2H3.
What are the key properties of acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine?
acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine has a molecular weight of 1552.36 g/mol, XLogP of 15.20, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;2-(4-aminophenyl)-6-chloroquinoline-4-carboxylic acid;1-(4-aminophenyl)ethanone;6-chloro-3H-indene-1,2-dione;1-[4-[6-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;6-chloro-2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid;morpholine is sourced from PubChem (CID 159357389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).