8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile

C13H13N2OP — CID 143305369

IUPAC8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile
SMILESCc1ccc2c(C#N)ccc(OP(C)C)c2n1
InChIInChI=1S/C13H13N2OP/c1-9-4-6-11-10(8-14)5-7-12(13(11)15-9)16-17(2)3/h4-7H,1-3H3
InChIKeyDDTLHKBUHGLHIT-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.45
Rot. Bonds2

About 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile

8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile (PubChem CID 143305369) has the molecular formula C13H13N2OP and a molecular weight of 244.23 g/mol. Its IUPAC name is 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile.

Molecular Properties

Compound Name8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile
PubChem CID143305369
Molecular FormulaC13H13N2OP
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile
SMILESCc1ccc2c(C#N)ccc(OP(C)C)c2n1
InChIInChI=1S/C13H13N2OP/c1-9-4-6-11-10(8-14)5-7-12(13(11)15-9)16-17(2)3/h4-7H,1-3H3
InChIKeyDDTLHKBUHGLHIT-UHFFFAOYSA-N
XLogP3.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
2-(5-iodo-2-methylquinolin-8-yl)oxyacetonitrile
CID 71320006
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
2,4-dimethoxy-3-methylsulfanylbenzonitrile
CID 117298729
CID 89087438
CID 89087438
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
CID 62369184
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 143498002
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
CID 81346292

Frequently Asked Questions

What is the IUPAC name of 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile?
The IUPAC name of 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile (CID 143305369) is 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile.
What is the SMILES notation for 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile?
The canonical SMILES for 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile is Cc1ccc2c(C#N)ccc(OP(C)C)c2n1.
What is the InChIKey of 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile?
The InChIKey is DDTLHKBUHGLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2OP/c1-9-4-6-11-10(8-14)5-7-12(13(11)15-9)16-17(2)3/h4-7H,1-3H3.
What are the key properties of 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile?
8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile has a molecular weight of 244.23 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile is sourced from PubChem (CID 143305369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).