6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one

C30H31N5O5 — CID 155497911

IUPAC6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc2cc1OCCN(C(=O)c1cccc(=O)[nH]1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H31N5O5/c1-38-26-6-5-23-18-27(26)40-14-11-34(30(37)25-3-2-4-28(36)32-25)20-22-15-21(19-33-9-12-39-13-10-33)16-24(17-22)35-8-7-31-29(23)35/h2-8,15-18H,9-14,19-20H2,1H3,(H,32,36)
InChIKeyKZUUEQUVSKOZPH-UHFFFAOYSA-N
MW541.61 g/mol
LogP3.10
Rot. Bonds4

About 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one

6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one (PubChem CID 155497911) has the molecular formula C30H31N5O5 and a molecular weight of 541.61 g/mol. Its IUPAC name is 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one
PubChem CID155497911
Molecular FormulaC30H31N5O5
Molecular Weight541.61 g/mol
Exact Mass541.23
IUPAC Name6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc2cc1OCCN(C(=O)c1cccc(=O)[nH]1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2
InChIInChI=1S/C30H31N5O5/c1-38-26-6-5-23-18-27(26)40-14-11-34(30(37)25-3-2-4-28(36)32-25)20-22-15-21(19-33-9-12-39-13-10-33)16-24(17-22)35-8-7-31-29(23)35/h2-8,15-18H,9-14,19-20H2,1H3,(H,32,36)
InChIKeyKZUUEQUVSKOZPH-UHFFFAOYSA-N
XLogP3.10
TPSA101.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.61
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(5S)-5-[2-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155507194
methyl 2-[[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]sulfonyl]benzoate
CID 155492733
formic acid;1-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155940143
1-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-15-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 155507845
19-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-10-methoxy-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaen-14-one
CID 155498241
10-methoxy-14-oxo-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-19-carboxylic acid
CID 154816380
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
(11R)-20-methoxy-15-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 137288336
(11R)-20-methoxy-15-(6-oxo-1H-pyrazine-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135099903
(11R)-15-(4-butylbenzoyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135119832
(11R)-20-methoxy-15-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135116079
(11R)-15-[(2R)-2-hydroxypropanoyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 137343321

Frequently Asked Questions

What is the IUPAC name of 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one (CID 155497911) is 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one is COc1ccc2cc1OCCN(C(=O)c1cccc(=O)[nH]1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2.
What is the InChIKey of 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one?
The InChIKey is KZUUEQUVSKOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O5/c1-38-26-6-5-23-18-27(26)40-14-11-34(30(37)25-3-2-4-28(36)32-25)20-22-15-21(19-33-9-12-39-13-10-33)16-24(17-22)35-8-7-31-29(23)35/h2-8,15-18H,9-14,19-20H2,1H3,(H,32,36).
What are the key properties of 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one?
6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one has a molecular weight of 541.61 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-methoxy-19-(morpholin-4-ylmethyl)-12-oxa-2,5,15-triazatetracyclo[15.3.1.17,11.02,6]docosa-1(21),3,5,7(22),8,10,17,19-octaene-15-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 155497911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).