6-methoxy-1H-quinolin-4-one isocyanate

C11H9N2O3- — CID 19004901

IUPAC6-methoxy-1H-quinolin-4-one isocyanate
SMILESCOc1ccc2[nH]ccc(=O)c2c1.[N-]=C=O
InChIInChI=1S/C10H9NO2.CNO/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9;2-1-3/h2-6H,1H3,(H,11,12);/q;-1
InChIKeyUFSICOJEMLWNAD-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.43
Rot. Bonds1

About 6-methoxy-1H-quinolin-4-one isocyanate

6-methoxy-1H-quinolin-4-one isocyanate (PubChem CID 19004901) has the molecular formula C11H9N2O3- and a molecular weight of 217.20 g/mol. Its IUPAC name is 6-methoxy-1H-quinolin-4-one isocyanate.

Molecular Properties

Compound Name6-methoxy-1H-quinolin-4-one isocyanate
PubChem CID19004901
Molecular FormulaC11H9N2O3-
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name6-methoxy-1H-quinolin-4-one isocyanate
SMILESCOc1ccc2[nH]ccc(=O)c2c1.[N-]=C=O
InChIInChI=1S/C10H9NO2.CNO/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9;2-1-3/h2-6H,1H3,(H,11,12);/q;-1
InChIKeyUFSICOJEMLWNAD-UHFFFAOYSA-N
XLogP1.43
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

cyclohexane;methanethiol;7-methoxy-1H-quinolin-4-one
CID 157041036
3-isocyanato-5-methoxy-1H-indole
CID 83915351
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
5-methoxy-1H-2,1-benzoxazol-3-one
CID 11715223
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-quinolin-4-one isocyanate?
The IUPAC name of 6-methoxy-1H-quinolin-4-one isocyanate (CID 19004901) is 6-methoxy-1H-quinolin-4-one isocyanate.
What is the SMILES notation for 6-methoxy-1H-quinolin-4-one isocyanate?
The canonical SMILES for 6-methoxy-1H-quinolin-4-one isocyanate is COc1ccc2[nH]ccc(=O)c2c1.[N-]=C=O.
What is the InChIKey of 6-methoxy-1H-quinolin-4-one isocyanate?
The InChIKey is UFSICOJEMLWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.CNO/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9;2-1-3/h2-6H,1H3,(H,11,12);/q;-1.
What are the key properties of 6-methoxy-1H-quinolin-4-one isocyanate?
6-methoxy-1H-quinolin-4-one isocyanate has a molecular weight of 217.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-quinolin-4-one isocyanate is sourced from PubChem (CID 19004901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).