13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

C30H19N3O — CID 122631951

IUPAC13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESc1ccc(-c2ccc(N3c4ccc5ccccc5c4Oc4ccc5ccccc5c43)cn2)nc1
InChIInChI=1S/C30H19N3O/c1-3-9-23-20(7-1)13-17-28-29(23)33(22-14-15-26(32-19-22)25-11-5-6-18-31-25)27-16-12-21-8-2-4-10-24(21)30(27)34-28/h1-19H
InChIKeyMOUWPEJDUJICBK-UHFFFAOYSA-N
MW437.50 g/mol
LogP8.03
Rot. Bonds2

About 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 122631951) has the molecular formula C30H19N3O and a molecular weight of 437.50 g/mol. Its IUPAC name is 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

Compound Name13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
PubChem CID122631951
Molecular FormulaC30H19N3O
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESc1ccc(-c2ccc(N3c4ccc5ccccc5c4Oc4ccc5ccccc5c43)cn2)nc1
InChIInChI=1S/C30H19N3O/c1-3-9-23-20(7-1)13-17-28-29(23)33(22-14-15-26(32-19-22)25-11-5-6-18-31-25)27-16-12-21-8-2-4-10-24(21)30(27)34-28/h1-19H
InChIKeyMOUWPEJDUJICBK-UHFFFAOYSA-N
XLogP8.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene with MolForge

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Related Compounds

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5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
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CID 2291961
[8-(2-Ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] acetate
CID 155553083
[8-(2-Methylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 122631951) is 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is c1ccc(-c2ccc(N3c4ccc5ccccc5c4Oc4ccc5ccccc5c43)cn2)nc1.
What is the InChIKey of 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The InChIKey is MOUWPEJDUJICBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O/c1-3-9-23-20(7-1)13-17-28-29(23)33(22-14-15-26(32-19-22)25-11-5-6-18-31-25)27-16-12-21-8-2-4-10-24(21)30(27)34-28/h1-19H.
What are the key properties of 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 437.50 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(6-pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 122631951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).