2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol

C17H15N3O — CID 135439635

IUPAC2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol
SMILESC/C(=N\Nc1cccc2cccnc12)c1ccccc1O
InChIInChI=1S/C17H15N3O/c1-12(14-8-2-3-10-16(14)21)19-20-15-9-4-6-13-7-5-11-18-17(13)15/h2-11,20-21H,1H3/b19-12+
InChIKeyCMMMSEIGVZJLMS-XDHOZWIPSA-N
MW277.33 g/mol
LogP3.78
Rot. Bonds3

About 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol

2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol (PubChem CID 135439635) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol
PubChem CID135439635
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol
SMILESC/C(=N\Nc1cccc2cccnc12)c1ccccc1O
InChIInChI=1S/C17H15N3O/c1-12(14-8-2-3-10-16(14)21)19-20-15-9-4-6-13-7-5-11-18-17(13)15/h2-11,20-21H,1H3/b19-12+
InChIKeyCMMMSEIGVZJLMS-XDHOZWIPSA-N
XLogP3.78
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol?
The IUPAC name of 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol (CID 135439635) is 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol is C/C(=N\Nc1cccc2cccnc12)c1ccccc1O.
What is the InChIKey of 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol?
The InChIKey is CMMMSEIGVZJLMS-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12(14-8-2-3-10-16(14)21)19-20-15-9-4-6-13-7-5-11-18-17(13)15/h2-11,20-21H,1H3/b19-12+.
What are the key properties of 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol?
2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-methyl-N-(quinolin-8-ylamino)carbonimidoyl]phenol is sourced from PubChem (CID 135439635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).