N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide

C18H15N3O2 — CID 155029826

IUPACN-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide
SMILESO=CN/N=C/C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-13-21-20-12-18(14-6-2-1-3-7-14)23-16-10-15-8-4-5-9-17(15)19-11-16/h1-13,18H,(H,21,22)/b20-12+
InChIKeyPIAJKIHUVSQAOU-UDWIEESQSA-N
MW305.34 g/mol
LogP3.09
Rot. Bonds6

About N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide

N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide (PubChem CID 155029826) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide.

Molecular Properties

Compound NameN-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide
PubChem CID155029826
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide
SMILESO=CN/N=C/C(Oc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-13-21-20-12-18(14-6-2-1-3-7-14)23-16-10-15-8-4-5-9-17(15)19-11-16/h1-13,18H,(H,21,22)/b20-12+
InChIKeyPIAJKIHUVSQAOU-UDWIEESQSA-N
XLogP3.09
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
2-quinolin-3-yloxypropanenitrile
CID 107388161
N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
CID 107387767
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-quinolin-3-yloxybutan-1-amine
CID 107386996
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
3-(bromomethoxy)quinoline
CID 54277099
N-methyl-4-quinolin-3-yloxypentan-1-amine
CID 107387882

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide?
The IUPAC name of N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide (CID 155029826) is N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide.
What is the SMILES notation for N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide?
The canonical SMILES for N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide is O=CN/N=C/C(Oc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide?
The InChIKey is PIAJKIHUVSQAOU-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-13-21-20-12-18(14-6-2-1-3-7-14)23-16-10-15-8-4-5-9-17(15)19-11-16/h1-13,18H,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide?
N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide has a molecular weight of 305.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-phenyl-2-quinolin-3-yloxyethylidene)amino]formamide is sourced from PubChem (CID 155029826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).