14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

C32H27NO5 — CID 10505727

IUPAC14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1ccc(CN2C(=O)c3cc(OC)c(OC)c4c3c2cc2c(OCc3ccccc3)cccc24)cc1
InChIInChI=1S/C32H27NO5/c1-35-22-14-12-20(13-15-22)18-33-26-16-24-23(10-7-11-27(24)38-19-21-8-5-4-6-9-21)30-29(26)25(32(33)34)17-28(36-2)31(30)37-3/h4-17H,18-19H2,1-3H3
InChIKeyQLMOYJNOXBWOLH-UHFFFAOYSA-N
MW505.57 g/mol
LogP6.76
Rot. Bonds8

About 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (PubChem CID 10505727) has the molecular formula C32H27NO5 and a molecular weight of 505.57 g/mol. Its IUPAC name is 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.

Molecular Properties

Compound Name14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
PubChem CID10505727
Molecular FormulaC32H27NO5
Molecular Weight505.57 g/mol
Exact Mass505.19
IUPAC Name14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1ccc(CN2C(=O)c3cc(OC)c(OC)c4c3c2cc2c(OCc3ccccc3)cccc24)cc1
InChIInChI=1S/C32H27NO5/c1-35-22-14-12-20(13-15-22)18-33-26-16-24-23(10-7-11-27(24)38-19-21-8-5-4-6-9-21)30-29(26)25(32(33)34)17-28(36-2)31(30)37-3/h4-17H,18-19H2,1-3H3
InChIKeyQLMOYJNOXBWOLH-UHFFFAOYSA-N
XLogP6.76
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one with MolForge

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Related Compounds

6,14,15-trimethoxy-10-[(4-methoxyphenyl)methyl]-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 10741234
13,14,15-trimethoxy-10-[(4-methoxyphenyl)methyl]-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
CID 10993680
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155194395
1-[(4-methoxyphenyl)methyl]-6-prop-2-ynoxybenzo[cd]indol-2-one
CID 155195332
3-(3,5-dimethoxy-11-oxo-4-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-10-yl)propanal
CID 101210120
6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155194845
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099

Frequently Asked Questions

What is the IUPAC name of 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-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 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (CID 10505727) is 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-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 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-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 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is COc1ccc(CN2C(=O)c3cc(OC)c(OC)c4c3c2cc2c(OCc3ccccc3)cccc24)cc1.
What is the InChIKey of 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The InChIKey is QLMOYJNOXBWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO5/c1-35-22-14-12-20(13-15-22)18-33-26-16-24-23(10-7-11-27(24)38-19-21-8-5-4-6-9-21)30-29(26)25(32(33)34)17-28(36-2)31(30)37-3/h4-17H,18-19H2,1-3H3.
What are the key properties of 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-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 505.57 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-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 10505727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).