17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one

C34H44N6O3 — CID 58102618

IUPAC17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one
SMILESCOc1ccc2cc1CNCCCCC(=O)CN1CCN(CC1)Cc1cc(ccc1N1CCOCC1)Cc1nccc-2n1
InChIInChI=1S/C34H44N6O3/c1-42-33-8-6-27-22-28(33)23-35-10-3-2-4-30(41)25-39-14-12-38(13-15-39)24-29-20-26(21-34-36-11-9-31(27)37-34)5-7-32(29)40-16-18-43-19-17-40/h5-9,11,20,22,35H,2-4,10,12-19,21,23-25H2,1H3
InChIKeyYLZWEHNOGUNWBU-UHFFFAOYSA-N
MW584.77 g/mol
LogP3.54
Rot. Bonds2

About 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one

17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one (PubChem CID 58102618) has the molecular formula C34H44N6O3 and a molecular weight of 584.77 g/mol. Its IUPAC name is 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one.

Molecular Properties

Compound Name17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one
PubChem CID58102618
Molecular FormulaC34H44N6O3
Molecular Weight584.77 g/mol
Exact Mass584.35
IUPAC Name17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one
SMILESCOc1ccc2cc1CNCCCCC(=O)CN1CCN(CC1)Cc1cc(ccc1N1CCOCC1)Cc1nccc-2n1
InChIInChI=1S/C34H44N6O3/c1-42-33-8-6-27-22-28(33)23-35-10-3-2-4-30(41)25-39-14-12-38(13-15-39)24-29-20-26(21-34-36-11-9-31(27)37-34)5-7-32(29)40-16-18-43-19-17-40/h5-9,11,20,22,35H,2-4,10,12-19,21,23-25H2,1H3
InChIKeyYLZWEHNOGUNWBU-UHFFFAOYSA-N
XLogP3.54
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one with MolForge

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Related Compounds

(15S)-24-methoxy-15-methyl-11-morpholin-4-yl-5,14,21,29-tetrazatetracyclo[21.3.1.12,6.18,12]nonacosa-1(27),2(29),3,5,8(28),9,11,23,25-nonaen-16-one
CID 58102686
11-morpholin-4-yl-5,7,14,19,23,33-hexazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(28),2(33),3,5,8(32),9,11,25(29),26-nonaen-18-one
CID 70804546
(15S)-15-benzyl-11-morpholin-4-yl-5,14,25-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(22),2(25),3,5,8(24),9,11,19(23),20-nonaen-16-one
CID 58102515
(18R)-23-methyl-10-morpholin-4-yl-5,14,23,31-tetrazapentacyclo[23.2.2.12,6.18,12.014,18]hentriaconta-1(28),2(31),3,5,8(30),9,11,25(29),26-nonaen-19-one
CID 58102573
11-morpholin-4-yl-22-oxa-5,7,14,19,31-pentazapentacyclo[21.2.2.214,17.12,6.18,12]hentriaconta-1(26),2(31),3,5,8(30),9,11,23(27),24-nonaen-18-one
CID 70804689
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
CID 58336495
(16S)-16-methyl-11-morpholin-4-yl-5,7,14,17,26-pentazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(23),2(26),3,5,8(25),9,11,20(24),21-nonaen-15-one
CID 58102629
5,17-dimethoxy-20-methyl-1,8,10,20,32-pentazapentacyclo[24.2.2.13,7.19,13.114,18]tritriaconta-3(33),4,6,9,11,13(32),14(31),15,17-nonaen-25-one
CID 58102769
11-morpholin-4-yl-23-(trifluoromethoxy)-14-oxa-5,7,19,27-tetrazatetracyclo[19.2.2.12,6.18,12]heptacosa-1(23),2(27),3,5,8(26),9,11,21,24-nonaen-20-one
CID 166871917
5,17-dimethoxy-20-methyl-1,8,10,20,27,33-hexazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3(34),4,6,9,11,13(33),14(32),15,17-nonaene
CID 143861764
ethane;7-(3-methoxy-4-morpholin-4-ylphenyl)-6H-1,6-naphthyridin-5-one
CID 143936480
5-(2,4-dimorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxybenzaldehyde
CID 143913582

Frequently Asked Questions

What is the IUPAC name of 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one?
The IUPAC name of 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one (CID 58102618) is 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one.
What is the SMILES notation for 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one?
The canonical SMILES for 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one is COc1ccc2cc1CNCCCCC(=O)CN1CCN(CC1)Cc1cc(ccc1N1CCOCC1)Cc1nccc-2n1.
What is the InChIKey of 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one?
The InChIKey is YLZWEHNOGUNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O3/c1-42-33-8-6-27-22-28(33)23-35-10-3-2-4-30(41)25-39-14-12-38(13-15-39)24-29-20-26(21-34-36-11-9-31(27)37-34)5-7-32(29)40-16-18-43-19-17-40/h5-9,11,20,22,35H,2-4,10,12-19,21,23-25H2,1H3.
What are the key properties of 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one?
17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one has a molecular weight of 584.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-4-morpholin-4-yl-1,10,20,27,33-pentazapentacyclo[25.2.2.13,7.19,13.114,18]tetratriaconta-3,5,7(34),9,11,13(33),14(32),15,17-nonaen-25-one is sourced from PubChem (CID 58102618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).