12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione

C20H14F2N2O3 — CID 100922534

IUPAC12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione
SMILESCOc1cccc2c1[nH]c(=O)c1c(=O)c3cc(F)cc(F)c3n(C3CC3)c12
InChIInChI=1S/C20H14F2N2O3/c1-27-14-4-2-3-11-16(14)23-20(26)15-18(11)24(10-5-6-10)17-12(19(15)25)7-9(21)8-13(17)22/h2-4,7-8,10H,5-6H2,1H3,(H,23,26)
InChIKeyXMOGFNPRJAMEQJ-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.62
Rot. Bonds2

About 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione

12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione (PubChem CID 100922534) has the molecular formula C20H14F2N2O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione.

Molecular Properties

Compound Name12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione
PubChem CID100922534
Molecular FormulaC20H14F2N2O3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione
SMILESCOc1cccc2c1[nH]c(=O)c1c(=O)c3cc(F)cc(F)c3n(C3CC3)c12
InChIInChI=1S/C20H14F2N2O3/c1-27-14-4-2-3-11-16(14)23-20(26)15-18(11)24(10-5-6-10)17-12(19(15)25)7-9(21)8-13(17)22/h2-4,7-8,10H,5-6H2,1H3,(H,23,26)
InChIKeyXMOGFNPRJAMEQJ-UHFFFAOYSA-N
XLogP3.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione with MolForge

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Launch Full Analysis

Related Compounds

9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 123690136
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
3-chloro-12-cyclopropyl-10-(3,4-dihydro-1H-isoquinolin-2-yl)-9,11-difluoro-5H-quinolino[4,3-b]quinoline-6,7-dione
CID 10074826
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 89431332
3-cyclopropyl-8-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114588895
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
4-hydroxy-8-methoxy-3-phenyl-1H-quinolin-2-one
CID 54683181

Frequently Asked Questions

What is the IUPAC name of 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione?
The IUPAC name of 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione (CID 100922534) is 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione.
What is the SMILES notation for 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione?
The canonical SMILES for 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione is COc1cccc2c1[nH]c(=O)c1c(=O)c3cc(F)cc(F)c3n(C3CC3)c12.
What is the InChIKey of 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione?
The InChIKey is XMOGFNPRJAMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3/c1-27-14-4-2-3-11-16(14)23-20(26)15-18(11)24(10-5-6-10)17-12(19(15)25)7-9(21)8-13(17)22/h2-4,7-8,10H,5-6H2,1H3,(H,23,26).
What are the key properties of 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione?
12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione has a molecular weight of 368.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclopropyl-9,11-difluoro-4-methoxy-5H-quinolino[4,3-b]quinoline-6,7-dione is sourced from PubChem (CID 100922534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).