N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine

C17H15N3O — CID 3319597

IUPACN-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine
SMILESCC(C=Cc1ccco1)=NNc1ccc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-13(8-10-15-6-4-12-21-15)19-20-17-11-9-14-5-2-3-7-16(14)18-17/h2-12H,1H3,(H,18,20)
InChIKeyNWKGSCDCGPUELS-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.33
Rot. Bonds4

About N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine

N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine (PubChem CID 3319597) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine
PubChem CID3319597
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine
SMILESCC(C=Cc1ccco1)=NNc1ccc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-13(8-10-15-6-4-12-21-15)19-20-17-11-9-14-5-2-3-7-16(14)18-17/h2-12H,1H3,(H,18,20)
InChIKeyNWKGSCDCGPUELS-UHFFFAOYSA-N
XLogP4.33
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
N-(1-phenylethylideneamino)quinolin-2-amine
CID 618819
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
cis-(1R,2S)-N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 129440919
1-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-3-(2-methylpropyl)thiourea
CID 5385463
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
sodium N-quinolin-2-ylnitrous amide
CID 54608705
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 825541

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine?
The IUPAC name of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine (CID 3319597) is N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine is CC(C=Cc1ccco1)=NNc1ccc2ccccc2n1.
What is the InChIKey of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine?
The InChIKey is NWKGSCDCGPUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13(8-10-15-6-4-12-21-15)19-20-17-11-9-14-5-2-3-7-16(14)18-17/h2-12H,1H3,(H,18,20).
What are the key properties of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine?
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine is sourced from PubChem (CID 3319597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).