N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine

C16H12N4 — CID 123450275

IUPACN-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine
SMILES[C-]#[N+]c1ccc(Nc2cc(C)c3ccccc3n2)nc1
InChIInChI=1S/C16H12N4/c1-11-9-16(19-14-6-4-3-5-13(11)14)20-15-8-7-12(17-2)10-18-15/h3-10H,1H3,(H,18,19,20)
InChIKeyVRUOTLVQHCUBOO-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.23
Rot. Bonds2

About N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine

N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine (PubChem CID 123450275) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine
PubChem CID123450275
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine
SMILES[C-]#[N+]c1ccc(Nc2cc(C)c3ccccc3n2)nc1
InChIInChI=1S/C16H12N4/c1-11-9-16(19-14-6-4-3-5-13(11)14)20-15-8-7-12(17-2)10-18-15/h3-10H,1H3,(H,18,19,20)
InChIKeyVRUOTLVQHCUBOO-UHFFFAOYSA-N
XLogP4.23
TPSA42.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 5011
CID 5011
CID 11247522
CID 11247522
CID 230710
CID 230710
CID 598754
CID 598754
CID 44177328
CID 44177328
CID 53325874
CID 53325874
CID 118577045
CID 118577045
CID 5013
CID 5013
CID 667555
CID 667555
CID 217000
CID 217000
CID 53313
CID 53313
CID 446752
CID 446752

Frequently Asked Questions

What is the IUPAC name of N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine (CID 123450275) is N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine is [C-]#[N+]c1ccc(Nc2cc(C)c3ccccc3n2)nc1.
What is the InChIKey of N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine?
The InChIKey is VRUOTLVQHCUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-9-16(19-14-6-4-3-5-13(11)14)20-15-8-7-12(17-2)10-18-15/h3-10H,1H3,(H,18,19,20).
What are the key properties of N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine?
N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-isocyano-2-pyridinyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 123450275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).