2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

C15H17N5O — CID 11119592

IUPAC2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccco1)C2
InChIInChI=1S/C15H17N5O/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)/b19-12+
InChIKeyYORHVWZCUFOODM-XDHOZWIPSA-N
MW283.34 g/mol
LogP1.69
Rot. Bonds2

About 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine

2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 11119592) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
PubChem CID11119592
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccco1)C2
InChIInChI=1S/C15H17N5O/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)/b19-12+
InChIKeyYORHVWZCUFOODM-XDHOZWIPSA-N
XLogP1.69
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 11119592) is 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is Cc1ccnc2c1/C(=N/N=C(N)N)CC(c1ccco1)C2.
What is the InChIKey of 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The InChIKey is YORHVWZCUFOODM-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-4-5-18-11-7-10(13-3-2-6-21-13)8-12(14(9)11)19-20-15(16)17/h2-6,10H,7-8H2,1H3,(H4,16,17,20)/b19-12+.
What are the key properties of 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 283.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is sourced from PubChem (CID 11119592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).