(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione

C17H15NO5 — CID 175665034

IUPAC(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione
SMILESO=C1C[C@]23CCCN2C(=O)Cc2cc4c(cc2C3=C1O)OCO4
InChIInChI=1S/C17H15NO5/c19-11-7-17-2-1-3-18(17)14(20)5-9-4-12-13(23-8-22-12)6-10(9)15(17)16(11)21/h4,6,21H,1-3,5,7-8H2/t17-/m0/s1
InChIKeyGZVVWMROSLITJH-KRWDZBQOSA-N
MW313.31 g/mol
LogP1.57
Rot. Bonds

About (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione

(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione (PubChem CID 175665034) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione.

Molecular Properties

Compound Name(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione
PubChem CID175665034
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione
SMILESO=C1C[C@]23CCCN2C(=O)Cc2cc4c(cc2C3=C1O)OCO4
InChIInChI=1S/C17H15NO5/c19-11-7-17-2-1-3-18(17)14(20)5-9-4-12-13(23-8-22-12)6-10(9)15(17)16(11)21/h4,6,21H,1-3,5,7-8H2/t17-/m0/s1
InChIKeyGZVVWMROSLITJH-KRWDZBQOSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione with MolForge

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Related Compounds

cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
3-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene
CID 58196066
(1S,16S,19S)-19-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9-trien-14-one
CID 11748617
(1S,16S)-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9-trien-14-one
CID 10957069
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
CID 12531628
(2S,3R,4S,6S)-3,4-dihydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),13,15(19)-trien-9-one
CID 11209315
5-(4-hydroxyphenyl)-7,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
CID 135536711
6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione
CID 134830941
5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
CID 135021934
1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone
CID 4154045
6,8-dioxa-13-azapentacyclo[11.7.0.01,17.03,11.05,9]icosa-3,5(9),10-trien-14-one
CID 558834

Frequently Asked Questions

What is the IUPAC name of (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione?
The IUPAC name of (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione (CID 175665034) is (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione.
What is the SMILES notation for (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione?
The canonical SMILES for (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione is O=C1C[C@]23CCCN2C(=O)Cc2cc4c(cc2C3=C1O)OCO4.
What is the InChIKey of (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione?
The InChIKey is GZVVWMROSLITJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15NO5/c19-11-7-17-2-1-3-18(17)14(20)5-9-4-12-13(23-8-22-12)6-10(9)15(17)16(11)21/h4,6,21H,1-3,5,7-8H2/t17-/m0/s1.
What are the key properties of (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione?
(6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione has a molecular weight of 313.31 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraene-4,11-dione is sourced from PubChem (CID 175665034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).