2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone

C19H21N5O4 — CID 11574514

IUPAC2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone
SMILESNc1nc2cc(OCC(=O)N3CCOCC3)ccc2c2c1nc1n2CCOC1
InChIInChI=1S/C19H21N5O4/c20-19-17-18(24-5-8-27-10-15(24)22-17)13-2-1-12(9-14(13)21-19)28-11-16(25)23-3-6-26-7-4-23/h1-2,9H,3-8,10-11H2,(H2,20,21)
InChIKeyUSUCCAAPUYOTPP-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.93
Rot. Bonds3

About 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone

2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone (PubChem CID 11574514) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone
PubChem CID11574514
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone
SMILESNc1nc2cc(OCC(=O)N3CCOCC3)ccc2c2c1nc1n2CCOC1
InChIInChI=1S/C19H21N5O4/c20-19-17-18(24-5-8-27-10-15(24)22-17)13-2-1-12(9-14(13)21-19)28-11-16(25)23-3-6-26-7-4-23/h1-2,9H,3-8,10-11H2,(H2,20,21)
InChIKeyUSUCCAAPUYOTPP-UHFFFAOYSA-N
XLogP0.93
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone
CID 59868939
N-[2-(4-amino-1,2-dimethylimidazo[4,5-c]quinolin-7-yl)oxyethyl]morpholine-4-carboxamide
CID 143227996
ethane;methyl pentanoate;15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 90711913
3-(2-fluoropropan-2-yl)-5-phenylmethoxy-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 67157344
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
1,1,1,3,3,3-hexafluoropropan-2-yl 5-(2-morpholin-4-yl-2-oxoethoxy)isoindole-2-carboxylate
CID 138619134
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446

Frequently Asked Questions

What is the IUPAC name of 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone (CID 11574514) is 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone is Nc1nc2cc(OCC(=O)N3CCOCC3)ccc2c2c1nc1n2CCOC1.
What is the InChIKey of 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone?
The InChIKey is USUCCAAPUYOTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c20-19-17-18(24-5-8-27-10-15(24)22-17)13-2-1-12(9-14(13)21-19)28-11-16(25)23-3-6-26-7-4-23/h1-2,9H,3-8,10-11H2,(H2,20,21).
What are the key properties of 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone?
2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone has a molecular weight of 383.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl)oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 11574514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).