4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine

C23H28N2O — CID 22760893

IUPAC4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine
SMILESCN1c2ccccc2C2CCC(N3CCOCC3)CC2c2ccccc21
InChIInChI=1S/C23H28N2O/c1-24-22-8-4-2-6-19(22)18-11-10-17(25-12-14-26-15-13-25)16-21(18)20-7-3-5-9-23(20)24/h2-9,17-18,21H,10-16H2,1H3
InChIKeyZGFWVLFCDJDCBF-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.52
Rot. Bonds1

About 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine

4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine (PubChem CID 22760893) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine.

Molecular Properties

Compound Name4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine
PubChem CID22760893
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine
SMILESCN1c2ccccc2C2CCC(N3CCOCC3)CC2c2ccccc21
InChIInChI=1S/C23H28N2O/c1-24-22-8-4-2-6-19(22)18-11-10-17(25-12-14-26-15-13-25)16-21(18)20-7-3-5-9-23(20)24/h2-9,17-18,21H,10-16H2,1H3
InChIKeyZGFWVLFCDJDCBF-UHFFFAOYSA-N
XLogP4.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine with MolForge

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Related Compounds

(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632
4-cyclopropylmorpholine;ethane
CID 155594914
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
4-(3-phenylcyclohexyl)morpholine
CID 174746441
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
4-[(2S,4R)-2-phenylpiperidin-4-yl]morpholine;hydrochloride
CID 165142296
4-(3-propan-2-ylcyclopentyl)morpholine
CID 165136279
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine
CID 10956622
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine
CID 83832116
1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone
CID 19348332

Frequently Asked Questions

What is the IUPAC name of 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine?
The IUPAC name of 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine (CID 22760893) is 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine.
What is the SMILES notation for 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine?
The canonical SMILES for 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine is CN1c2ccccc2C2CCC(N3CCOCC3)CC2c2ccccc21.
What is the InChIKey of 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine?
The InChIKey is ZGFWVLFCDJDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-22-8-4-2-6-19(22)18-11-10-17(25-12-14-26-15-13-25)16-21(18)20-7-3-5-9-23(20)24/h2-9,17-18,21H,10-16H2,1H3.
What are the key properties of 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine?
4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine has a molecular weight of 348.49 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine is sourced from PubChem (CID 22760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).