6-(1-nitrosoethyl)quinoline

C11H10N2O — CID 54028651

IUPAC6-(1-nitrosoethyl)quinoline
SMILESCC(N=O)c1ccc2ncccc2c1
InChIInChI=1S/C11H10N2O/c1-8(13-14)9-4-5-11-10(7-9)3-2-6-12-11/h2-8H,1H3
InChIKeyLDZYDIAHYCDLEU-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.06
Rot. Bonds2

About 6-(1-nitrosoethyl)quinoline

6-(1-nitrosoethyl)quinoline (PubChem CID 54028651) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-(1-nitrosoethyl)quinoline.

Molecular Properties

Compound Name6-(1-nitrosoethyl)quinoline
PubChem CID54028651
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name6-(1-nitrosoethyl)quinoline
SMILESCC(N=O)c1ccc2ncccc2c1
InChIInChI=1S/C11H10N2O/c1-8(13-14)9-4-5-11-10(7-9)3-2-6-12-11/h2-8H,1H3
InChIKeyLDZYDIAHYCDLEU-UHFFFAOYSA-N
XLogP3.06
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
2-methoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116720092
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701

Frequently Asked Questions

What is the IUPAC name of 6-(1-nitrosoethyl)quinoline?
The IUPAC name of 6-(1-nitrosoethyl)quinoline (CID 54028651) is 6-(1-nitrosoethyl)quinoline.
What is the SMILES notation for 6-(1-nitrosoethyl)quinoline?
The canonical SMILES for 6-(1-nitrosoethyl)quinoline is CC(N=O)c1ccc2ncccc2c1.
What is the InChIKey of 6-(1-nitrosoethyl)quinoline?
The InChIKey is LDZYDIAHYCDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8(13-14)9-4-5-11-10(7-9)3-2-6-12-11/h2-8H,1H3.
What are the key properties of 6-(1-nitrosoethyl)quinoline?
6-(1-nitrosoethyl)quinoline has a molecular weight of 186.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-nitrosoethyl)quinoline is sourced from PubChem (CID 54028651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).