(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine

C21H22N2O4 — CID 122391902

IUPAC(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine
SMILESCOc1cc2c(c(OC)c1OC)-c1c(n(C)c3ccccc13)/C(=N\O)CC2
InChIInChI=1S/C21H22N2O4/c1-23-15-8-6-5-7-13(15)18-17-12(9-10-14(22-24)19(18)23)11-16(25-2)20(26-3)21(17)27-4/h5-8,11,24H,9-10H2,1-4H3/b22-14-
InChIKeyFLFLEIPKEHZKRX-HMAPJEAMSA-N
MW366.42 g/mol
LogP4.00
Rot. Bonds3

About (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine

(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine (PubChem CID 122391902) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine
PubChem CID122391902
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine
SMILESCOc1cc2c(c(OC)c1OC)-c1c(n(C)c3ccccc13)/C(=N\O)CC2
InChIInChI=1S/C21H22N2O4/c1-23-15-8-6-5-7-13(15)18-17-12(9-10-14(22-24)19(18)23)11-16(25-2)20(26-3)21(17)27-4/h5-8,11,24H,9-10H2,1-4H3/b22-14-
InChIKeyFLFLEIPKEHZKRX-HMAPJEAMSA-N
XLogP4.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-2,3-dihydrocyclopenta[b]indol-1-ylidene)hydroxylamine
CID 603347
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
CID 135470258
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol
CID 50916827
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
[(9Z)-10-(hydroxymethyl)-3,4,5,14,16-pentamethoxy-15-phenylmethoxy-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,9,12,14-heptaenyl]methanol
CID 11135117
(9-methylcarbazol-1-yl)-(2,3,4,5-tetramethoxyphenyl)methanone
CID 170563793
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
CID 102421670
3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol
CID 142005950
15,16,17-trimethoxy-1,11-diazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),9,11,14,16,18-nonaen-13-ol
CID 57409695
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine (CID 122391902) is (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine is COc1cc2c(c(OC)c1OC)-c1c(n(C)c3ccccc13)/C(=N\O)CC2.
What is the InChIKey of (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine?
The InChIKey is FLFLEIPKEHZKRX-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23-15-8-6-5-7-13(15)18-17-12(9-10-14(22-24)19(18)23)11-16(25-2)20(26-3)21(17)27-4/h5-8,11,24H,9-10H2,1-4H3/b22-14-.
What are the key properties of (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine?
(NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine has a molecular weight of 366.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3,4,5-trimethoxy-12-methyl-12-azatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-10-ylidene)hydroxylamine is sourced from PubChem (CID 122391902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).