N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine

C16H14N4O — CID 122442565

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine
SMILESc1cnc2c(c1)CCC/C2=N\Nc1nc2ccccc2o1
InChIInChI=1S/C16H14N4O/c1-2-9-14-12(7-1)18-16(21-14)20-19-13-8-3-5-11-6-4-10-17-15(11)13/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,20)/b19-13+
InChIKeyDCIVVBBWQMOVCO-CPNJWEJPSA-N
MW278.31 g/mol
LogP3.38
Rot. Bonds2

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 122442565) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine
PubChem CID122442565
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine
SMILESc1cnc2c(c1)CCC/C2=N\Nc1nc2ccccc2o1
InChIInChI=1S/C16H14N4O/c1-2-9-14-12(7-1)18-16(21-14)20-19-13-8-3-5-11-6-4-10-17-15(11)13/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,20)/b19-13+
InChIKeyDCIVVBBWQMOVCO-CPNJWEJPSA-N
XLogP3.38
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine (CID 122442565) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine is c1cnc2c(c1)CCC/C2=N\Nc1nc2ccccc2o1.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is DCIVVBBWQMOVCO-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-9-14-12(7-1)18-16(21-14)20-19-13-8-3-5-11-6-4-10-17-15(11)13/h1-2,4,6-7,9-10H,3,5,8H2,(H,18,20)/b19-13+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 278.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 122442565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).