16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one

C19H16N2O2 — CID 3436174

IUPAC16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2C31
InChIInChI=1S/C19H16N2O2/c1-23-11-6-7-16-15(10-11)12-8-9-21-18(17(12)20-16)13-4-2-3-5-14(13)19(21)22/h2-7,10,18,20H,8-9H2,1H3
InChIKeyDWHIPRRZWKTEEK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.28
Rot. Bonds1

About 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one

16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one (PubChem CID 3436174) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one.

Molecular Properties

Compound Name16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one
PubChem CID3436174
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2C31
InChIInChI=1S/C19H16N2O2/c1-23-11-6-7-16-15(10-11)12-8-9-21-18(17(12)20-16)13-4-2-3-5-14(13)19(21)22/h2-7,10,18,20H,8-9H2,1H3
InChIKeyDWHIPRRZWKTEEK-UHFFFAOYSA-N
XLogP3.28
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one with MolForge

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Related Compounds

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CID 86294105
7,19-dimethoxy-21-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-14-one
CID 122185180
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CID 171346230
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CID 98399485
1-[(1R)-1-(2,5-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 2244550
6-methoxy-2-[4-(4-methylsulfanylphenoxy)phenyl]sulfonyl-1-naphthalen-1-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
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7-chloro-3,13,15-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4(9),5,7,16,18,20-heptaen-14-one
CID 155814782

Frequently Asked Questions

What is the IUPAC name of 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one?
The IUPAC name of 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one (CID 3436174) is 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one.
What is the SMILES notation for 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one?
The canonical SMILES for 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one is COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2C31.
What is the InChIKey of 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one?
The InChIKey is DWHIPRRZWKTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-11-6-7-16-15(10-11)12-8-9-21-18(17(12)20-16)13-4-2-3-5-14(13)19(21)22/h2-7,10,18,20H,8-9H2,1H3.
What are the key properties of 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one?
16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one has a molecular weight of 304.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14(19),15,17-heptaen-9-one is sourced from PubChem (CID 3436174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).