15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid

C23H17N3O4 — CID 168742412

IUPAC15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1c3cccc4c(N5CCOCC5)ccc(c(=O)n21)c43
InChIInChI=1S/C23H17N3O4/c27-22-16-5-7-18(25-8-10-30-11-9-25)14-2-1-3-15(20(14)16)21-24-17-12-13(23(28)29)4-6-19(17)26(21)22/h1-7,12H,8-11H2,(H,28,29)
InChIKeyCPWYEQWJYIOIAJ-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.13
Rot. Bonds2

About 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid

15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid (PubChem CID 168742412) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid.

Molecular Properties

Compound Name15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid
PubChem CID168742412
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1c3cccc4c(N5CCOCC5)ccc(c(=O)n21)c43
InChIInChI=1S/C23H17N3O4/c27-22-16-5-7-18(25-8-10-30-11-9-25)14-2-1-3-15(20(14)16)21-24-17-12-13(23(28)29)4-6-19(17)26(21)22/h1-7,12H,8-11H2,(H,28,29)
InChIKeyCPWYEQWJYIOIAJ-UHFFFAOYSA-N
XLogP3.13
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid with MolForge

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Related Compounds

15-(4-acetylpiperazin-1-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 15508560
6,20-dibenzoyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 102226437
17-(4-methylpiperazin-1-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 122371409
6-N,6-N,20-N,20-N-tetrachloro-11,25-dioxo-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-6,20-dicarboxamide
CID 134402497
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid
CID 3467590
17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
methyl 11-oxo-22-thia-3,10-diazaheptacyclo[13.10.2.02,10.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4(9),5,7,12(26),13,15(27),16,18,20,23-dodecaene-6-carboxylate
CID 151770588
6-methyl-17-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
CID 71052683
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
15,17-di(carbazol-9-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 121248140

Frequently Asked Questions

What is the IUPAC name of 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid?
The IUPAC name of 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid (CID 168742412) is 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid.
What is the SMILES notation for 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid?
The canonical SMILES for 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid is O=C(O)c1ccc2c(c1)nc1c3cccc4c(N5CCOCC5)ccc(c(=O)n21)c43.
What is the InChIKey of 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid?
The InChIKey is CPWYEQWJYIOIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-22-16-5-7-18(25-8-10-30-11-9-25)14-2-1-3-15(20(14)16)21-24-17-12-13(23(28)29)4-6-19(17)26(21)22/h1-7,12H,8-11H2,(H,28,29).
What are the key properties of 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid?
15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid has a molecular weight of 399.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-morpholin-4-yl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaene-6-carboxylic acid is sourced from PubChem (CID 168742412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).