acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one

C100H105N17O14 — CID 159354240

About acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one

acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one (PubChem CID 159354240) has the molecular formula C100H105N17O14 and a molecular weight of 1769.04 g/mol. Its IUPAC name is acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one
• PubChem CID: 159354240
• Molecular Formula: C100H105N17O14
• Molecular Weight: 1769.04 g/mol
• Exact Mass: 1767.80
• IUPAC Name: acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one
• SMILES: C.C1COCCN1.CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3ccccc3n2)nc1.CC(=O)OC(C)=O.CC(=O)c1ccc(N)cn1.Nc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)nc1.Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)nc1.Nc1ccc(-c2cc(CN3CCOCC3)c3ccccc3n2)nc1.O=C1Cc2ccccc2C1=O
• InChI: InChI=1S/C22H23N3O2.C19H18N4O2.C19H20N4O.C15H11N3O2.C9H6O2.C7H8N2O.C4H9NO.C4H6O3.CH4/c1-16(26)12-17-6-7-21(23-14-17)22-13-18(15-25-8-10-27-11-9-25)19-4-2-3-5-20(19)24-22;20-13-5-6-17(21-12-13)18-11-15(14-3-1-2-4-16(14)22-18)19(24)23-7-9-25-10-8-23;20-15-5-6-18(21-12-15)19-11-14(13-23-7-9-24-10-8-23)16-3-1-2-4-17(16)22-19;16-9-5-6-13(17-8-9)14-7-11(15(19)20)10-3-1-2-4-12(10)18-14;10-8-5-6-3-1-2-4-7(6)9(8)11;1-5(10)7-3-2-6(8)4-9-7;1-3-6-4-2-5-1;1-3(5)7-4(2)6;/h2-7,13-14H,8-12,15H2,1H3;1-6,11-12H,7-10,20H2;1-6,11-12H,7-10,13,20H2;1-8H,16H2,(H,19,20);1-4H,5H2;2-4H,8H2,1H3;5H,1-4H2;1-2H3;1H4
• InChIKey: LHSKJLQEUIITIY-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 444.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.04
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one?

The IUPAC name of acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one (CID 159354240) is acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one.

What is the SMILES notation for acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one?

The canonical SMILES for acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one is C.C1COCCN1.CC(=O)Cc1ccc(-c2cc(CN3CCOCC3)c3ccccc3n2)nc1.CC(=O)OC(C)=O.CC(=O)c1ccc(N)cn1.Nc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)nc1.Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)nc1.Nc1ccc(-c2cc(CN3CCOCC3)c3ccccc3n2)nc1.O=C1Cc2ccccc2C1=O.

What is the InChIKey of acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one?

The InChIKey is LHSKJLQEUIITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C19H18N4O2.C19H20N4O.C15H11N3O2.C9H6O2.C7H8N2O.C4H9NO.C4H6O3.CH4/c1-16(26)12-17-6-7-21(23-14-17)22-13-18(15-25-8-10-27-11-9-25)19-4-2-3-5-20(19)24-22;20-13-5-6-17(21-12-13)18-11-15(14-3-1-2-4-16(14)22-18)19(24)23-7-9-25-10-8-23;20-15-5-6-18(21-12-15)19-11-14(13-23-7-9-24-10-8-23)16-3-1-2-4-17(16)22-19;16-9-5-6-13(17-8-9)14-7-11(15(19)20)10-3-1-2-4-12(10)18-14;10-8-5-6-3-1-2-4-7(6)9(8)11;1-5(10)7-3-2-6(8)4-9-7;1-3-6-4-2-5-1;1-3(5)7-4(2)6;/h2-7,13-14H,8-12,15H2,1H3;1-6,11-12H,7-10,20H2;1-6,11-12H,7-10,13,20H2;1-8H,16H2,(H,19,20);1-4H,5H2;2-4H,8H2,1H3;5H,1-4H2;1-2H3;1H4.

What are the key properties of acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one?

acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one has a molecular weight of 1769.04 g/mol, XLogP of 13.10, 13 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;1-(5-amino-2-pyridinyl)ethanone;2-(5-amino-2-pyridinyl)quinoline-4-carboxylic acid;[2-(5-amino-2-pyridinyl)quinolin-4-yl]-morpholin-4-ylmethanone;3H-indene-1,2-dione;methane;morpholine;6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]pyridin-3-amine;1-[6-[4-(morpholin-4-ylmethyl)quinolin-2-yl]-3-pyridinyl]propan-2-one is sourced from PubChem (CID 159354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).