4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

C22H21N3O2 — CID 57402733

IUPAC4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ccc(NCCN3CCOCC3)cc2-c2nccc3cccc1c23
InChIInChI=1S/C22H21N3O2/c26-22-17-5-4-16(23-8-9-25-10-12-27-13-11-25)14-19(17)21-20-15(6-7-24-21)2-1-3-18(20)22/h1-7,14,23H,8-13H2
InChIKeyTXVNKMVOZYSYBG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.19
Rot. Bonds4

About 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (PubChem CID 57402733) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
PubChem CID57402733
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESO=C1c2ccc(NCCN3CCOCC3)cc2-c2nccc3cccc1c23
InChIInChI=1S/C22H21N3O2/c26-22-17-5-4-16(23-8-9-25-10-12-27-13-11-25)14-19(17)21-20-15(6-7-24-21)2-1-3-18(20)22/h1-7,14,23H,8-13H2
InChIKeyTXVNKMVOZYSYBG-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one with MolForge

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Related Compounds

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CID 109207695
N-(2,3-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
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3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234098
2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
CID 46189572
N-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207703
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (CID 57402733) is 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is O=C1c2ccc(NCCN3CCOCC3)cc2-c2nccc3cccc1c23.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The InChIKey is TXVNKMVOZYSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22-17-5-4-16(23-8-9-25-10-12-27-13-11-25)14-19(17)21-20-15(6-7-24-21)2-1-3-18(20)22/h1-7,14,23H,8-13H2.
What are the key properties of 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one has a molecular weight of 359.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 57402733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).