4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

C18H15NO5 — CID 10314215

IUPAC4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1c(OC)c(OC)c2c3c(cc4ccc(O)cc42)NC(=O)c13
InChIInChI=1S/C18H15NO5/c1-22-15-12-10-7-9(20)5-4-8(10)6-11-13(12)14(18(21)19-11)16(23-2)17(15)24-3/h4-7,20H,1-3H3,(H,19,21)
InChIKeyGHYWNOWXFZMSSL-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.29
Rot. Bonds3

About 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (PubChem CID 10314215) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.

Molecular Properties

Compound Name4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
PubChem CID10314215
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1c(OC)c(OC)c2c3c(cc4ccc(O)cc42)NC(=O)c13
InChIInChI=1S/C18H15NO5/c1-22-15-12-10-7-9(20)5-4-8(10)6-11-13(12)14(18(21)19-11)16(23-2)17(15)24-3/h4-7,20H,1-3H3,(H,19,21)
InChIKeyGHYWNOWXFZMSSL-UHFFFAOYSA-N
XLogP3.29
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

13-(hydroxymethyl)-4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 162874032
14-(hydroxymethyl)-13,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
CID 163027933
14-hydroxy-12-imino-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-11-one
CID 136900125
4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 14526428
6-amino-5-methoxynaphthalen-2-ol
CID 115017706
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione
CID 57428995
6,14-dihydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 86129027
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
4-methoxybenzo[f]isoindole-1,3-dione
CID 11775900
(6-hydroxy-1-methoxynaphthalen-2-yl) benzoate
CID 174692721
(1S)-1,7-dihydroxy-4-methoxy-1-(2-oxopropyl)phenanthren-2-one
CID 162955161

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The IUPAC name of 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (CID 10314215) is 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.
What is the SMILES notation for 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The canonical SMILES for 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is COc1c(OC)c(OC)c2c3c(cc4ccc(O)cc42)NC(=O)c13.
What is the InChIKey of 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The InChIKey is GHYWNOWXFZMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-15-12-10-7-9(20)5-4-8(10)6-11-13(12)14(18(21)19-11)16(23-2)17(15)24-3/h4-7,20H,1-3H3,(H,19,21).
What are the key properties of 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one has a molecular weight of 325.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is sourced from PubChem (CID 10314215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).