23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

C31H17N3OS — CID 129040184

IUPAC23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc2c(c1)ccc1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)nn12
InChIInChI=1S/C31H17N3OS/c1-4-10-24-18(7-1)13-14-19-15-29(32-34(19)24)33-25-16-22-20-8-2-5-11-26(20)35-27(22)17-23(25)30-21-9-3-6-12-28(21)36-31(30)33/h1-17H
InChIKeyBWMQONYPMBACDO-UHFFFAOYSA-N
MW479.56 g/mol
LogP8.70
Rot. Bonds1

About 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene

23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (PubChem CID 129040184) has the molecular formula C31H17N3OS and a molecular weight of 479.56 g/mol. Its IUPAC name is 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.

Molecular Properties

Compound Name23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
PubChem CID129040184
Molecular FormulaC31H17N3OS
Molecular Weight479.56 g/mol
Exact Mass479.11
IUPAC Name23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
SMILESc1ccc2c(c1)ccc1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)nn12
InChIInChI=1S/C31H17N3OS/c1-4-10-24-18(7-1)13-14-19-15-29(32-34(19)24)33-25-16-22-20-8-2-5-11-26(20)35-27(22)17-23(25)30-21-9-3-6-12-28(21)36-31(30)33/h1-17H
InChIKeyBWMQONYPMBACDO-UHFFFAOYSA-N
XLogP8.70
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The IUPAC name of 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene (CID 129040184) is 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene.
What is the SMILES notation for 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The canonical SMILES for 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is c1ccc2c(c1)ccc1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)nn12.
What is the InChIKey of 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
The InChIKey is BWMQONYPMBACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N3OS/c1-4-10-24-18(7-1)13-14-19-15-29(32-34(19)24)33-25-16-22-20-8-2-5-11-26(20)35-27(22)17-23(25)30-21-9-3-6-12-28(21)36-31(30)33/h1-17H.
What are the key properties of 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene?
23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene has a molecular weight of 479.56 g/mol, XLogP of 8.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-pyrazolo[1,5-a]quinolin-2-yl-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene is sourced from PubChem (CID 129040184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).