N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen

C18H17N3 — CID 167483138

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)CC/C2=N\Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15N3.H2/c1-3-7-15-13(5-1)9-11-17(15)20-21-18-12-10-14-6-2-4-8-16(14)19-18;/h1-8,10,12H,9,11H2,(H,19,21);1H/b20-17+;
InChIKeyUIPJDLCMILFGCY-SJEOTZHBSA-N
MW275.35 g/mol
LogP4.24
Rot. Bonds2

About N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen

N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen (PubChem CID 167483138) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen
PubChem CID167483138
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)CC/C2=N\Nc1ccc2ccccc2n1
InChIInChI=1S/C18H15N3.H2/c1-3-7-15-13(5-1)9-11-17(15)20-21-18-12-10-14-6-2-4-8-16(14)19-18;/h1-8,10,12H,9,11H2,(H,19,21);1H/b20-17+;
InChIKeyUIPJDLCMILFGCY-SJEOTZHBSA-N
XLogP4.24
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen (CID 167483138) is N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen is [H][H].c1ccc2c(c1)CC/C2=N\Nc1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen?
The InChIKey is UIPJDLCMILFGCY-SJEOTZHBSA-N. The full InChI is InChI=1S/C18H15N3.H2/c1-3-7-15-13(5-1)9-11-17(15)20-21-18-12-10-14-6-2-4-8-16(14)19-18;/h1-8,10,12H,9,11H2,(H,19,21);1H/b20-17+;.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen?
N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen has a molecular weight of 275.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]quinolin-2-amine;molecular hydrogen is sourced from PubChem (CID 167483138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).