(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione

C23H20N4O4 — CID 122177436

IUPAC(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
SMILESCC[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23
InChIInChI=1S/C23H20N4O4/c1-2-16-20(29)27-17-10-6-4-8-14(17)23(31)11-18(21(30)26(16)22(23)27)25-12-24-15-9-5-3-7-13(15)19(25)28/h3-10,12,16,18,22,31H,2,11H2,1H3/t16-,18+,22+,23+/m0/s1
InChIKeyQKNGOIPTCPKCCI-GYVGSTJSSA-N
MW416.44 g/mol
LogP1.52
Rot. Bonds2

About (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione

(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione (PubChem CID 122177436) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione.

Molecular Properties

Compound Name(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
PubChem CID122177436
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
SMILESCC[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23
InChIInChI=1S/C23H20N4O4/c1-2-16-20(29)27-17-10-6-4-8-14(17)23(31)11-18(21(30)26(16)22(23)27)25-12-24-15-9-5-3-7-13(15)19(25)28/h3-10,12,16,18,22,31H,2,11H2,1H3/t16-,18+,22+,23+/m0/s1
InChIKeyQKNGOIPTCPKCCI-GYVGSTJSSA-N
XLogP1.52
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione?
The IUPAC name of (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione (CID 122177436) is (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione.
What is the SMILES notation for (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione?
The canonical SMILES for (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione is CC[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23.
What is the InChIKey of (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione?
The InChIKey is QKNGOIPTCPKCCI-GYVGSTJSSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-2-16-20(29)27-17-10-6-4-8-14(17)23(31)11-18(21(30)26(16)22(23)27)25-12-24-15-9-5-3-7-13(15)19(25)28/h3-10,12,16,18,22,31H,2,11H2,1H3/t16-,18+,22+,23+/m0/s1.
What are the key properties of (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione?
(1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione has a molecular weight of 416.44 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,13R,15R)-10-ethyl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione is sourced from PubChem (CID 122177436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).