2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide

C18H15N3O2 — CID 6875010

IUPAC2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-18(21-19-10-12-7-8-23-11-12)15-9-17(13-5-6-13)20-16-4-2-1-3-14(15)16/h1-4,7-11,13H,5-6H2,(H,21,22)/b19-10+
InChIKeySKJXZIMQIHVMID-VXLYETTFSA-N
MW305.34 g/mol
LogP3.47
Rot. Bonds4

About 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6875010) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6875010
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-18(21-19-10-12-7-8-23-11-12)15-9-17(13-5-6-13)20-16-4-2-1-3-14(15)16/h1-4,7-11,13H,5-6H2,(H,21,22)/b19-10+
InChIKeySKJXZIMQIHVMID-VXLYETTFSA-N
XLogP3.47
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.47
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-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1226426
2-[4-[(2S)-butan-2-yl]phenyl]-N-[(Z)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5454997
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 1388519
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135549800
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 1226462
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide (CID 6875010) is 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is SKJXZIMQIHVMID-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(21-19-10-12-7-8-23-11-12)15-9-17(13-5-6-13)20-16-4-2-1-3-14(15)16/h1-4,7-11,13H,5-6H2,(H,21,22)/b19-10+.
What are the key properties of 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6875010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).