4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol

C25H29FN4O4 — CID 10414943

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2c1
InChIInChI=1S/C25H29FN4O4/c1-32-17-2-3-21-19(11-17)18(20(26)13-29-21)4-6-30-7-5-22(23(31)15-30)28-12-16-10-24-25(14-27-16)34-9-8-33-24/h2-3,10-11,13-14,22-23,28,31H,4-9,12,15H2,1H3
InChIKeyVOXNNKOQFJVFJE-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.32
Rot. Bonds7

About 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol (PubChem CID 10414943) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol
PubChem CID10414943
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2c1
InChIInChI=1S/C25H29FN4O4/c1-32-17-2-3-21-19(11-17)18(20(26)13-29-21)4-6-30-7-5-22(23(31)15-30)28-12-16-10-24-25(14-27-16)34-9-8-33-24/h2-3,10-11,13-14,22-23,28,31H,4-9,12,15H2,1H3
InChIKeyVOXNNKOQFJVFJE-UHFFFAOYSA-N
XLogP2.32
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol with MolForge

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Related Compounds

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
(3S,4S)-4-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-1-[2-(6-methoxyquinolin-4-yl)ethyl]pyrrolidin-3-ol
CID 11619318
4-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxyquinoline-3-carbonitrile;hydrochloride
CID 44529095
(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine
CID 123454027
1-[2-(6-chloro-3-fluoroquinolin-4-yl)ethyl]-4-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidine-4-carboxamide
CID 91446306
(1S)-2,2-dideuterio-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 88545619
4-[2-[(3S,4S)-3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 11705599
(1S)-2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550035
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1-methylquinolin-2-one;dihydrochloride
CID 68514517
6-[[[(3S,4R)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 68565780
(1S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-dioxan-2-yl]-2-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 164626621
(2R)-2-[[(3R,4S)-4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-12-one
CID 25104089

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol (CID 10414943) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol is COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)C(O)C3)c2c1.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol?
The InChIKey is VOXNNKOQFJVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-32-17-2-3-21-19(11-17)18(20(26)13-29-21)4-6-30-7-5-22(23(31)15-30)28-12-16-10-24-25(14-27-16)34-9-8-33-24/h2-3,10-11,13-14,22-23,28,31H,4-9,12,15H2,1H3.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol?
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol has a molecular weight of 468.53 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 10414943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).