21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione

C21H27N5O5 — CID 135101677

IUPAC21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione
SMILESCOc1ccc2c(c1)OCCn1cc(nn1)CCC(=O)N1CCCC(O)(CNC2=O)C1
InChIInChI=1S/C21H27N5O5/c1-30-16-4-5-17-18(11-16)31-10-9-26-12-15(23-24-26)3-6-19(27)25-8-2-7-21(29,14-25)13-22-20(17)28/h4-5,11-12,29H,2-3,6-10,13-14H2,1H3,(H,22,28)
InChIKeyGGJWDSMEPPUFFI-UHFFFAOYSA-N
MW429.48 g/mol
LogP0.40
Rot. Bonds1

About 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione

21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione (PubChem CID 135101677) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione.

Molecular Properties

Compound Name21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione
PubChem CID135101677
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione
SMILESCOc1ccc2c(c1)OCCn1cc(nn1)CCC(=O)N1CCCC(O)(CNC2=O)C1
InChIInChI=1S/C21H27N5O5/c1-30-16-4-5-17-18(11-16)31-10-9-26-12-15(23-24-26)3-6-19(27)25-8-2-7-21(29,14-25)13-22-20(17)28/h4-5,11-12,29H,2-3,6-10,13-14H2,1H3,(H,22,28)
InChIKeyGGJWDSMEPPUFFI-UHFFFAOYSA-N
XLogP0.40
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione with MolForge

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Related Compounds

6-methoxy-2-methyl-10-oxa-2,14,15,16,22-pentazatetracyclo[20.2.2.114,17.04,9]heptacosa-4(9),5,7,15,17(27)-pentaene-3,21-dione
CID 135115148
(13S,16S,19S)-19-benzyl-16-ethyl-7-methoxy-13-propyl-4-oxa-1,12,15,18,21,24,25-heptazatricyclo[21.2.1.05,10]hexacosa-5(10),6,8,23(26),24-pentaene-11,14,17,20-tetrone
CID 131948377
25-methyl-2-oxa-5,6,7,13,20-pentazatetracyclo[20.3.1.15,8.013,18]heptacosa-1(25),6,8(27),22(26),23-pentaene-12,21-dione
CID 135117126
9-oxa-1,12,13,14,19-pentazatetracyclo[17.2.2.14,8.112,15]pentacosa-4(25),5,7,13,15(24)-pentaene-2,18-dione
CID 135092004
(2S)-8-methoxy-1'-(thiophene-2-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 92598752
8-methoxy-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione
CID 46962509
5-methoxy-19-methyl-3,23-dioxa-11,15,26,27,28-pentazatetracyclo[24.2.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,27-octaene-10,16-dione
CID 135097234
N-cyclohexyl-2-(8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)acetamide
CID 110213109
6-methyl-8,21-dioxa-1,11,12,13,18-pentazatetracyclo[18.3.1.13,7.111,14]hexacosa-3(26),4,6,12,14(25)-pentaene-2,17-dione
CID 135118423
N-cyclopropyl-2-[(2S)-8-methoxy-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl]acetamide
CID 92598705
(4S,8S)-19-methoxy-9,17-dioxa-3,6,12,13,14-pentazatetracyclo[16.3.1.111,14.04,8]tricosa-1(22),11(23),12,18,20-pentaen-2-one;hydrochloride
CID 154911658
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253

Frequently Asked Questions

What is the IUPAC name of 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione?
The IUPAC name of 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione (CID 135101677) is 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione.
What is the SMILES notation for 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione?
The canonical SMILES for 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione is COc1ccc2c(c1)OCCn1cc(nn1)CCC(=O)N1CCCC(O)(CNC2=O)C1.
What is the InChIKey of 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione?
The InChIKey is GGJWDSMEPPUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-30-16-4-5-17-18(11-16)31-10-9-26-12-15(23-24-26)3-6-19(27)25-8-2-7-21(29,14-25)13-22-20(17)28/h4-5,11-12,29H,2-3,6-10,13-14H2,1H3,(H,22,28).
What are the key properties of 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione?
21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione has a molecular weight of 429.48 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 21-hydroxy-14-methoxy-11-oxa-1,6,7,8,19-pentazatetracyclo[19.3.1.15,8.012,17]hexacosa-5(26),6,12(17),13,15-pentaene-2,18-dione is sourced from PubChem (CID 135101677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).