7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine

C24H29ClN2O2 — CID 11486756

IUPAC7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
SMILESCc1ccc(NC2c3cc(Cl)ccc3OC3(N4CCOCC4)CCCCC23)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-5-8-19(9-6-17)26-23-20-16-18(25)7-10-22(20)29-24(11-3-2-4-21(23)24)27-12-14-28-15-13-27/h5-10,16,21,23,26H,2-4,11-15H2,1H3
InChIKeyREUJMJJQUJIMBQ-UHFFFAOYSA-N
MW412.96 g/mol
LogP5.41
Rot. Bonds3

About 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine

7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine (PubChem CID 11486756) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine.

Molecular Properties

Compound Name7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
PubChem CID11486756
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
SMILESCc1ccc(NC2c3cc(Cl)ccc3OC3(N4CCOCC4)CCCCC23)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-5-8-19(9-6-17)26-23-20-16-18(25)7-10-22(20)29-24(11-3-2-4-21(23)24)27-12-14-28-15-13-27/h5-10,16,21,23,26H,2-4,11-15H2,1H3
InChIKeyREUJMJJQUJIMBQ-UHFFFAOYSA-N
XLogP5.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine with MolForge

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Related Compounds

(4aS,9S,9aS)-4a-morpholin-4-yl-N-phenyl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 139066052
(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
diethyl 5-chloro-3-(4-methylanilino)-3H-1-benzofuran-2,2-dicarboxylate
CID 102344617
4-[(7aS,11aR)-7a-morpholin-4-yl-9,10,11,11a-tetrahydro-8H-benzo[a]oxanthren-5-yl]morpholine
CID 1130323
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
9-chloro-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 3121808
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4aS,10bS)-9-chloro-1'-pyrrolidin-1-ylsulfonylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]
CID 110144291
4-(6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275927
3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020755
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948992
4-(4-chloroanilino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 14650532

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine?
The IUPAC name of 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine (CID 11486756) is 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine.
What is the SMILES notation for 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine?
The canonical SMILES for 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine is Cc1ccc(NC2c3cc(Cl)ccc3OC3(N4CCOCC4)CCCCC23)cc1.
What is the InChIKey of 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine?
The InChIKey is REUJMJJQUJIMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-17-5-8-19(9-6-17)26-23-20-16-18(25)7-10-22(20)29-24(11-3-2-4-21(23)24)27-12-14-28-15-13-27/h5-10,16,21,23,26H,2-4,11-15H2,1H3.
What are the key properties of 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine?
7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine has a molecular weight of 412.96 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine is sourced from PubChem (CID 11486756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).