4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol

C17H15N3O2 — CID 135801880

IUPAC4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol
SMILESCc1cc(/C(=N/N)c2ccc(O)c(O)c2)nc2ccccc12
InChIInChI=1S/C17H15N3O2/c1-10-8-14(19-13-5-3-2-4-12(10)13)17(20-18)11-6-7-15(21)16(22)9-11/h2-9,21-22H,18H2,1H3/b20-17+
InChIKeyXOLCKAXSVBTVJT-LVZFUZTISA-N
MW293.33 g/mol
LogP2.67
Rot. Bonds2

About 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol

4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol (PubChem CID 135801880) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol
PubChem CID135801880
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol
SMILESCc1cc(/C(=N/N)c2ccc(O)c(O)c2)nc2ccccc12
InChIInChI=1S/C17H15N3O2/c1-10-8-14(19-13-5-3-2-4-12(10)13)17(20-18)11-6-7-15(21)16(22)9-11/h2-9,21-22H,18H2,1H3/b20-17+
InChIKeyXOLCKAXSVBTVJT-LVZFUZTISA-N
XLogP2.67
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
(3,5-dimethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754669
2-methoxy-1-(4-methylquinolin-2-yl)ethanone
CID 114754716
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
4-methylquinoline-2-sulfonic acid
CID 119081997
4-ethylsulfonyl-1-(4-methylquinolin-2-yl)butan-1-one
CID 114754641
(3-ethylphenyl)-(4-methylquinolin-2-yl)methanone
CID 114754714
1-(3,4-dihydroxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylethanone
CID 35501587
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
1-(4-methylquinolin-2-yl)pent-4-en-1-one
CID 114754704
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol (CID 135801880) is 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol is Cc1cc(/C(=N/N)c2ccc(O)c(O)c2)nc2ccccc12.
What is the InChIKey of 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol?
The InChIKey is XOLCKAXSVBTVJT-LVZFUZTISA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-8-14(19-13-5-3-2-4-12(10)13)17(20-18)11-6-7-15(21)16(22)9-11/h2-9,21-22H,18H2,1H3/b20-17+.
What are the key properties of 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol?
4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol has a molecular weight of 293.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol is sourced from PubChem (CID 135801880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).