15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

C32H34FN5O5 — CID 11180809

IUPAC15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C32H34FN5O5/c33-25-19-23-29-31(28(25)34-5-7-36-9-13-41-14-10-36)43-27-18-22-4-2-1-3-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-6-8-37-11-15-42-16-12-37/h1-4,17-20,34H,5-16H2,(H,35,40)
InChIKeyCANFRUGNJQQQLQ-UHFFFAOYSA-N
MW587.65 g/mol
LogP3.19
Rot. Bonds8

About 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide

15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (PubChem CID 11180809) has the molecular formula C32H34FN5O5 and a molecular weight of 587.65 g/mol. Its IUPAC name is 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.

Molecular Properties

Compound Name15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
PubChem CID11180809
Molecular FormulaC32H34FN5O5
Molecular Weight587.65 g/mol
Exact Mass587.25
IUPAC Name15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C32H34FN5O5/c33-25-19-23-29-31(28(25)34-5-7-36-9-13-41-14-10-36)43-27-18-22-4-2-1-3-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-6-8-37-11-15-42-16-12-37/h1-4,17-20,34H,5-16H2,(H,35,40)
InChIKeyCANFRUGNJQQQLQ-UHFFFAOYSA-N
XLogP3.19
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.65
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The IUPAC name of 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide (CID 11180809) is 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide.
What is the SMILES notation for 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The canonical SMILES for 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is O=C(NCCN1CCOCC1)c1cn2c3c(c(NCCN4CCOCC4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.
What is the InChIKey of 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
The InChIKey is CANFRUGNJQQQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O5/c33-25-19-23-29-31(28(25)34-5-7-36-9-13-41-14-10-36)43-27-18-22-4-2-1-3-21(22)17-26(27)38(29)20-24(30(23)39)32(40)35-6-8-37-11-15-42-16-12-37/h1-4,17-20,34H,5-16H2,(H,35,40).
What are the key properties of 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide?
15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide has a molecular weight of 587.65 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-N-(2-morpholin-4-ylethyl)-14-(2-morpholin-4-ylethylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide is sourced from PubChem (CID 11180809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).