(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol

C18H25N3O2 — CID 159014562

IUPAC(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
SMILESCCCCCNC1c2cc3nccnc3cc2OC(C)(C)[C@@H]1O
InChIInChI=1S/C18H25N3O2/c1-4-5-6-7-21-16-12-10-13-14(20-9-8-19-13)11-15(12)23-18(2,3)17(16)22/h8-11,16-17,21-22H,4-7H2,1-3H3/t16?,17-/m1/s1
InChIKeyJSXRAXHZNAUXQG-ZYMOGRSISA-N
MW315.42 g/mol
LogP2.98
Rot. Bonds5

About (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol

(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol (PubChem CID 159014562) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol.

Molecular Properties

Compound Name(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
PubChem CID159014562
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
SMILESCCCCCNC1c2cc3nccnc3cc2OC(C)(C)[C@@H]1O
InChIInChI=1S/C18H25N3O2/c1-4-5-6-7-21-16-12-10-13-14(20-9-8-19-13)11-15(12)23-18(2,3)17(16)22/h8-11,16-17,21-22H,4-7H2,1-3H3/t16?,17-/m1/s1
InChIKeyJSXRAXHZNAUXQG-ZYMOGRSISA-N
XLogP2.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol with MolForge

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Related Compounds

(8R)-7,7-dimethyl-9-(2-phenylethylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 143110134
N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexane-1-sulfonamide
CID 10140155
(3R,4S)-7-chloro-2,2,9-trimethyl-4-(3-phenylpropylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 87449867
ethyl N-[(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)amino]carbamate
CID 14627732
(3R,4S)-6,7-diamino-4-(2-cyclopentylethylamino)-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 59134382
(3S,4S)-7-chloro-2,2,9-trimethyl-4-(2-phenylethylamino)-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 90831120
1-(7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl)-3-methylthiourea
CID 14627721
(3R,4S)-4-(4,4-diethoxybutylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 22826406
7-chloro-2,2,9-trimethyl-4-[2-(thian-4-yl)ethylamino]-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 11567978
(3R,4S)-7-chloro-2,2,9-trimethyl-4-[2-(oxan-4-yl)ethylamino]-3,4-dihydropyrano[2,3-g]quinolin-3-ol;dihydrochloride
CID 87326718
9-amino-2,3,7,7-tetramethyl-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 143110056
7-bromo-6-methoxy-2,2-dimethyl-4-(2-phenylethylamino)-3,4-dihydrochromen-3-ol
CID 46178927

Frequently Asked Questions

What is the IUPAC name of (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The IUPAC name of (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol (CID 159014562) is (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol.
What is the SMILES notation for (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The canonical SMILES for (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol is CCCCCNC1c2cc3nccnc3cc2OC(C)(C)[C@@H]1O.
What is the InChIKey of (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
The InChIKey is JSXRAXHZNAUXQG-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-5-6-7-21-16-12-10-13-14(20-9-8-19-13)11-15(12)23-18(2,3)17(16)22/h8-11,16-17,21-22H,4-7H2,1-3H3/t16?,17-/m1/s1.
What are the key properties of (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol?
(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol has a molecular weight of 315.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol is sourced from PubChem (CID 159014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).