1-oxido-3,4-dihydro-2H-quinoline

C9H10NO- — CID 18542548

IUPAC1-oxido-3,4-dihydro-2H-quinoline
SMILES[O-]N1CCCc2ccccc21
InChIInChI=1S/C9H10NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2/q-1
InChIKeySHMZXOXHBXXISG-UHFFFAOYSA-N
MW148.19 g/mol
LogP1.94
Rot. Bonds

About 1-oxido-3,4-dihydro-2H-quinoline

1-oxido-3,4-dihydro-2H-quinoline (PubChem CID 18542548) has the molecular formula C9H10NO- and a molecular weight of 148.19 g/mol. Its IUPAC name is 1-oxido-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-oxido-3,4-dihydro-2H-quinoline
PubChem CID18542548
Molecular FormulaC9H10NO-
Molecular Weight148.19 g/mol
Exact Mass148.08
IUPAC Name1-oxido-3,4-dihydro-2H-quinoline
SMILES[O-]N1CCCc2ccccc21
InChIInChI=1S/C9H10NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2/q-1
InChIKeySHMZXOXHBXXISG-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
3,4-dihydro-2H-quinolin-1-ylmethanesulfinate
CID 174943976
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
1-(triazol-1-yl)-3,4-dihydro-2H-quinoline
CID 67055696
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-oxido-3,4-dihydro-2H-quinoline (CID 18542548) is 1-oxido-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-oxido-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-oxido-3,4-dihydro-2H-quinoline is [O-]N1CCCc2ccccc21.
What is the InChIKey of 1-oxido-3,4-dihydro-2H-quinoline?
The InChIKey is SHMZXOXHBXXISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2/q-1.
What are the key properties of 1-oxido-3,4-dihydro-2H-quinoline?
1-oxido-3,4-dihydro-2H-quinoline has a molecular weight of 148.19 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 18542548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).