6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

C19H16BrN3O2 — CID 6303420

IUPAC6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(C3CC3)nc3ccc(Br)cc23)o1
InChIInChI=1S/C19H16BrN3O2/c1-11-2-6-14(25-11)10-21-23-19(24)16-9-18(12-3-4-12)22-17-7-5-13(20)8-15(16)17/h2,5-10,12H,3-4H2,1H3,(H,23,24)/b21-10-
InChIKeyCRTCNGQXFSKXTF-FBHDLOMBSA-N
MW398.26 g/mol
LogP4.54
Rot. Bonds4

About 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6303420) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID6303420
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(C3CC3)nc3ccc(Br)cc23)o1
InChIInChI=1S/C19H16BrN3O2/c1-11-2-6-14(25-11)10-21-23-19(24)16-9-18(12-3-4-12)22-17-7-5-13(20)8-15(16)17/h2,5-10,12H,3-4H2,1H3,(H,23,24)/b21-10-
InChIKeyCRTCNGQXFSKXTF-FBHDLOMBSA-N
XLogP4.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.54
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

6-bromo-2-cyclopropyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6182189
6-bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
6-bromo-2-cyclopropyl-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6040283
6-bromo-2-cyclopropyl-N-[1-(4-hydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 4671456
2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 4142263
2-(3,4-dimethylphenyl)-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 1226428
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135549800
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 6873636
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (CID 6303420) is 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is Cc1ccc(/C=N\NC(=O)c2cc(C3CC3)nc3ccc(Br)cc23)o1.
What is the InChIKey of 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is CRTCNGQXFSKXTF-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-11-2-6-14(25-11)10-21-23-19(24)16-9-18(12-3-4-12)22-17-7-5-13(20)8-15(16)17/h2,5-10,12H,3-4H2,1H3,(H,23,24)/b21-10-.
What are the key properties of 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6303420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).