1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid

C28H33F3N4O6 — CID 56834757

IUPAC1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2c(C)cc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H32N4O4.C2HF3O2/c1-18-13-26(31)30(23-15-21(32-2)3-4-22(18)23)10-9-29-7-5-19(6-8-29)27-16-20-14-24-25(17-28-20)34-12-11-33-24;3-2(4,5)1(6)7/h3-4,13-15,17,19,27H,5-12,16H2,1-2H3;(H,6,7)
InChIKeyLRWZHVQPZASCSQ-UHFFFAOYSA-N
MW578.59 g/mol
LogP3.37
Rot. Bonds7

About 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 56834757) has the molecular formula C28H33F3N4O6 and a molecular weight of 578.59 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID56834757
Molecular FormulaC28H33F3N4O6
Molecular Weight578.59 g/mol
Exact Mass578.24
IUPAC Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2c(C)cc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H32N4O4.C2HF3O2/c1-18-13-26(31)30(23-15-21(32-2)3-4-22(18)23)10-9-29-7-5-19(6-8-29)27-16-20-14-24-25(17-28-20)34-12-11-33-24;3-2(4,5)1(6)7/h3-4,13-15,17,19,27H,5-12,16H2,1-2H3;(H,6,7)
InChIKeyLRWZHVQPZASCSQ-UHFFFAOYSA-N
XLogP3.37
TPSA115.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.59
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(5-fluoro-7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 140541756
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,6-naphthyridin-2-one
CID 56834578
CID 88867550
CID 88867550
7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one
CID 56834576
(E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-4-yl]prop-2-enal
CID 88867620
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 142697966
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
CID 24864198
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
CID 59397839
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid (CID 56834757) is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid is COc1ccc2c(C)cc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is LRWZHVQPZASCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4.C2HF3O2/c1-18-13-26(31)30(23-15-21(32-2)3-4-22(18)23)10-9-29-7-5-19(6-8-29)27-16-20-14-24-25(17-28-20)34-12-11-33-24;3-2(4,5)1(6)7/h3-4,13-15,17,19,27H,5-12,16H2,1-2H3;(H,6,7).
What are the key properties of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid?
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 578.59 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56834757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).