10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

C21H12N4O3 — CID 75491240

IUPAC10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESO=c1ccc2c(c1)oc1c(-c3cc4ccccc4[nH]c3=O)c3c[nH][nH]c3nc12
InChIInChI=1S/C21H12N4O3/c26-11-5-6-12-16(8-11)28-19-17(14-9-22-25-20(14)24-18(12)19)13-7-10-3-1-2-4-15(10)23-21(13)27/h1-9H,(H,23,27)(H2,22,24,25)
InChIKeyICCYVDRKLLJKSH-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.66
Rot. Bonds1

About 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 75491240) has the molecular formula C21H12N4O3 and a molecular weight of 368.35 g/mol. Its IUPAC name is 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID75491240
Molecular FormulaC21H12N4O3
Molecular Weight368.35 g/mol
Exact Mass368.09
IUPAC Name10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESO=c1ccc2c(c1)oc1c(-c3cc4ccccc4[nH]c3=O)c3c[nH][nH]c3nc12
InChIInChI=1S/C21H12N4O3/c26-11-5-6-12-16(8-11)28-19-17(14-9-22-25-20(14)24-18(12)19)13-7-10-3-1-2-4-15(10)23-21(13)27/h1-9H,(H,23,27)(H2,22,24,25)
InChIKeyICCYVDRKLLJKSH-UHFFFAOYSA-N
XLogP3.66
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one with MolForge

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Related Compounds

3-(6,7-dihydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-8-methylquinolin-2(1H)-one
CID 91641310
3-(7-hydroxy-1-isopropyl-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-1-methylquinolin-2(1H)-one
CID 71826074
5-(7-hydroxy-1-isopropyl-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one
CID 71826079
3-(7-hydroxy-1-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-6-methylquinolin-2(1H)-one
CID 71826172
2-(7-hydroxy-1-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one
CID 71826292
3-(7-hydroxy-1-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)quinolin-2(1H)-one
CID 71826534
3-(7-hydroxy-1-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-1-methylquinolin-2(1H)-one
CID 71826540
3-(7-hydroxy-1-isopropyl-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)quinolin-2(1H)-one
CID 71827086
5-(7-hydroxy-1-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one
CID 71827141
5-(7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one
CID 75491676
2-(7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one
CID 91637121
2-(7-hydroxy-6-methyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl)-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one
CID 91637246

Frequently Asked Questions

What is the IUPAC name of 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 75491240) is 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is O=c1ccc2c(c1)oc1c(-c3cc4ccccc4[nH]c3=O)c3c[nH][nH]c3nc12.
What is the InChIKey of 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is ICCYVDRKLLJKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O3/c26-11-5-6-12-16(8-11)28-19-17(14-9-22-25-20(14)24-18(12)19)13-7-10-3-1-2-4-15(10)23-21(13)27/h1-9H,(H,23,27)(H2,22,24,25).
What are the key properties of 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 368.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxo-1H-quinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 75491240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).